SCHEMBL9496401

SCHEMBL9496401

CC(C)(C)OC(=O)N[C@@H](CCCC(N)C(=O)OCc1ccccc1Cl)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 6/20 0.44
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
CTSK P43235 6/20 0.43
PPARG P37231 5/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
IDO1 P14902 1/20 0.42
CACNA1B Q00975 1/20 0.42
TACR1 P25103 1/20 0.42
CTSS P25774 1/20 0.41
ACE P12821 1/20 0.41
PTPN1 P18031 1/20 0.41
PPARD Q03181 2/20 0.41
FOLH1 Q04609 1/20 0.41

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
SCHEMBL9556905 1.00 PPARA (0.44) PPARAALDH1A1TSHRCTSKPPARG
Lysine SCHEMBL11590831 0.94 ALDH1A1 (0.42) PPARAALDH1A1TSHRCTSKPPARG
SCHEMBL10533209 0.87 PPARA (0.45) PPARAALDH1A1TSHRCTSKPPARG
SCHEMBL3937813 0.86 PPARA (0.56) PPARAALDH1A1TSHRCTSKPPARG
SCHEMBL29396254 0.86 PPARA (0.56) PPARAALDH1A1TSHRCTSKPPARG
SCHEMBL29401315 0.85 KEAP1 (0.51) PPARAALDH1A1TSHRCTSKCYP1A2
SCHEMBL29400991 0.85 KEAP1 (0.51) PPARAALDH1A1TSHRCTSKCYP1A2
SCHEMBL7759126 0.84 MAPT (0.53) ALDH1A1TSHRFOLH1
SCHEMBL30600455 0.84 MAPT (0.53) ALDH1A1TSHRFOLH1
SCHEMBL29401091 0.84 MAPT (0.53) ALDH1A1TSHRFOLH1

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-5225400-A Immunostimulating peptides, a process for their preparation and pharmaceutical compositions containing them ELLEM INDUSTRIA FARMACEUTICA S.R.L. (IT) 1993-07-06 US disclosed
EP-0279151-B1 PERTUSSIS TOXIN POLYPEPTIDE AND ITS USES TRION FORSKNING- OCH UTVECKLINGS AKTIEBOLAG (SE) 1993-04-28 EP disclosed
EP-0353565-B1 IMMUNOSTIMULATING PEPTIDES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMMPOSITIONS CONTAINING THEM ELLEM INDUSTRIA FARMACEUTICA S.p.A. (IT) 1993-03-24 EP disclosed
EP-0500170-A2 Cyclic hexapeptides having antibiotic activity MERCK & CO. INC. (US) 1992-08-26 EP disclosed
US-5079231-A IMMUNOSTIMULATING PEPTIDES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ELLEM INDUSTRIA FARMACEUTICA S.P.A. (IT) 1992-01-07 US disclosed
US-5001222-A Des-17-histidine-calcitonin RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1991-03-19 US disclosed
EP-0353565-A1 Immunostimulating peptides, a process for their preparation and pharmaceutical commpositions containing them ELLEM INDUSTRIA FARMACEUTICA S.p.A. (IT) 1990-02-07 EP disclosed
US-4639509-A POLYPEPTIDES ARMOUR PHARMACEUTICAL COMPANY (US) 1987-01-27 US disclosed
US-4622387-A 8-methionine calcitonin ARMOUR PHARMACEUTICAL CO. (US) 1986-11-11 US disclosed
US-4622388-A POLYPEPTIDES ARMOUR PHARMACEUTICAL COMPANY (US) 1986-11-11 US disclosed
US-4606856-A [Des-1-amino, 8-glycine]calcitonin RHONE-POULENC RORER PHARMACEUTICALS INC. 1986-08-19 US disclosed
US-4495097-A Des-serine2 -glycine8 calcitonin ARMOUR PHARMACEUTICAL COMPANY (US) 1985-01-22 US disclosed
US-4469632-A REDUCTION OF SERUM CALCIUM CONCENTRATION ARMOUR PHARMACEUTICAL COMPANY (US) 1984-09-04 US disclosed
US-4451395-A REDUCING SERUM CALCIUM LEVELS ARMOUR PHARMACEUTICAL COMPANY (US) 1984-05-29 US disclosed
US-4397780-A SUBSTITUTION ALALOGS OF NATURAL CALCITONINS ARMOUR PHARMACEUTICAL COMPANY (US) 1983-08-09 US disclosed
US-4304692-A RESIN PEPTIDE FOR MAKING CALCITONIN ANALOGUES ARMOUR PHARMACEUTICAL COMPANY (US) 1981-12-08 US disclosed
US-4239680-A CALCITONIN ACITIVITY ARMOUR AND COMPANY (US) 1980-12-16 US disclosed
US-4217268-A CALCITONINS RHONE-POULENC RORER PHARMACEUTICALS INC. 1980-08-12 US disclosed
US-4130514-A RESIN, ADRENOCORTICOTROPIC ACTIVITY ARMOUR PHARMACEUTICAL COMPANY (US) 1978-12-19 US disclosed
US-4062815-A DIVINYLBENZENE CROSSLINKED POLYSTYRENE ARMOUR PHARMACEUTICAL COMPANY (US) 1977-12-13 US disclosed