SCHEMBL9224622

SCHEMBL9224622

C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CCC(=O)O)C(N)=O

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.43
▸ NOD2 Q9HC29 1/20 0.42
▸ REN P00797 4/20 0.41
▸ CTSK P43235 7/20 0.41
▸ CTSS P25774 6/20 0.41
▸ CTSL P07711 1/20 0.41
▸ CTSB P07858 1/20 0.41
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA7 P43166 1/20 0.39
▸ ERAP2 Q6P179 1/20 0.39
▸ ERAP1 Q9NZ08 1/20 0.39
▸ LNPEP Q9UIQ6 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18953127 1.00 KMT2A (0.43) KMT2ANOD2RENCTSKCTSS
SCHEMBL18953129 1.00 KMT2A (0.43) KMT2ANOD2RENCTSKCTSS
SCHEMBL9696051 0.89 FOLH1 (0.48) KMT2ACTSKCTSSCTSLCTSB
SCHEMBL10976677 0.89 FOLH1 (0.48) KMT2ACTSKCTSSCTSLCTSB
SCHEMBL10606976 0.89 CTSK (0.47) RENCTSKCTSSCTSLCTSB
SCHEMBL8461423 0.89 CTSK (0.47) RENCTSKCTSSCTSLCTSB
SCHEMBL7509222 0.89 CTSK (0.47) RENCTSKCTSSCTSLCTSB
SCHEMBL11120073 0.87 NOD1 (0.46) KMT2ARENCTSKCTSSCTSL
SCHEMBL11165901 0.87 CTSS (0.53) RENCTSKCTSSCA1CA2
SCHEMBL10788830 0.84 REN (0.47) KMT2ARENCTSKCTSSCTSL

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5416070-A Composition for macrophage activation IMMUNOTHERAPEUTICS, INC. (US) 1995-05-16 — — US disclosed
EP-0527803-A1 COMPOSITION FOR MACROPHAGE ACTIVATION. IMMUNOTHERAPEUTICS INC (US) 1993-02-24 — — EP disclosed
EP-0426667-A4 COMPOSITION FOR MACROPHAGE ACTIVATION — 1992-05-06 — — EP disclosed
WO-1991016347-A1 COMPOSITION FOR MACROPHAGE ACTIVATION IMMUNOTHERAPEUTICS, INC. (US) 1991-10-31 — — WO disclosed
EP-0426667-A1 COMPOSITION FOR MACROPHAGE ACTIVATION. IMMUNOTHERAPEUTICS INC (US) 1991-05-15 — — EP disclosed
US-4950645-A ANTITUMOR AGENTS; NONTOXIC; ACTIVATES HUMAN MONOCYTES IMMUNOTHERAPEUTICS, INC. (US) 1990-08-21 — — US disclosed
WO-1990000396-A1 COMPOSITION FOR MACROPHAGE ACTIVATION IMMUNOTHERAPEUTICS, INC. (US) 1990-01-25 — — WO disclosed
EP-0098520-B1 L-ALANYL-D-ISOGLUTAMINYL-ADAMANTYL AMIDE, PROCESS FOR ITS PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THIS COMPOUND SPOFA Spojené Podniky Pro Zdravotnickou Vyrobu (CS) 1986-01-29 — — EP disclosed
US-4515715-A IMMUNOSTIMULANTS, IMMUNOADJUVANTS SPOFA, SPOJENE PODNIKY PRO ZDRATVONICKOU VYROBU (CS) 1985-05-07 — — US disclosed
EP-0098520-A1 L-alanyl-D-isoglutaminyl-adamantyl amide, process for its preparation and pharmaceutical compositions containing this compound SPOFA Spojené Podniky Pro Zdravotnickou Vyrobu (CS) 1984-01-18 — — EP disclosed
EP-0004512-B1 MURAMYL-PEPTIDE ESTER DERIVATIVES AND THEIR APPLICATION TO PHARMACOLOGICAL COMPOSITIONS AND LABORATORY REACTANTS ANVAR Agence Nationale de Valorisation de la Recherche (FR) 1984-01-18 — — EP disclosed
US-4396607-A IMMUNOLOGY, ANTIGENS AGENCE NATIONALE DE VALORISATION DE LA RECHERCHE (ANVAR) (FR) 1983-08-02 — — US disclosed
EP-0013856-B1 NEW COMPOUNDS ASSOCIATING PEPTIDYL OR AMINOACYL RESIDUES TO LIPOPHILIC GROUPS AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAID NEW COMPOUNDS ANVAR Agence Nationale de Valorisation de la Recherche (FR) 1983-03-09 — — EP disclosed
US-4370265-A N-ACETYLMURAMYL-L-ALANYL-D-GLUTAMIC ACID AGENCE NATIONALE DE VALORISATION (FR) 1983-01-25 — — US disclosed
US-4335111-A BACTERICIDES AGENCE NATIONAL DE VALORISATION DE LA RECHERCHE (ANVAR) (FR) 1982-06-15 — — US disclosed
US-4235771-A ACYL-MURAMIC ACID WITH PEPTIDE CHAIN LINKED THERETO AGENCE NATIONALE DE VALORISATION DE LA RECHERCHE (ANVAR) (FR) 1980-11-25 — — US disclosed
EP-0013856-A1 New compounds associating peptidyl or aminoacyl residues to lipophilic groups and pharmaceutical compositions containing said new compounds ANVAR Agence Nationale de Valorisation de la Recherche (FR) 1980-08-06 — — EP disclosed
US-4186194-A Water soluble agents effective as immunological adjuvants for stimulating, in the host the immune response to various antigens and compositions, notably vaccines containing said water soluble agents AGENCE NATIONALE DE VALORISATION DE LA RECHERCHE (ANVAR) (FR) 1980-01-29 — — US disclosed
WO-1979000802-A1 NEW ESTER COMPOUNDS OF MURAMYL-PEPTIDE AND APPLICATIONS THEREOF TO PHARMACEUTICAL COMPOSITIONS AND LABORATORY REACTA ANVAR (FR) 1979-10-18 — — WO disclosed
EP-0004512-A1 Muramyl-peptide ester derivatives and their application to pharmacological compositions and laboratory reactants ANVAR Agence Nationale de Valorisation de la Recherche (FR) 1979-10-03 — — EP disclosed
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