SCHEMBL367751

SCHEMBL367751

C[C@@H](O)[C@H](N)C(=O)N[C@H]([C]=O)Cc1c[nH]cn1

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 2/20 0.35
▸ SPHK1 Q9NYA1 4/20 0.30

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
SCHEMBL8370894 1.00 CTSC (0.35) CTSCSPHK1
SCHEMBL9012496 0.93 CTSC (0.42) CTSC
SCHEMBL5499034 0.93 CTSC (0.42) CTSC
SCHEMBL5795275 0.90 CTRB1 (0.34) CTSC
SCHEMBL9012489 0.90 CTRB1 (0.34) CTSC
SCHEMBL9012656 0.90 CTRB1 (0.34) CTSC
SCHEMBL9012498 0.90 CTRB1 (0.34) CTSC
SCHEMBL5793608 0.89 CIT (0.34) CTSC
SCHEMBL9012459 0.86 CTSC (0.37) CTSC
SCHEMBL9012442 0.86 CTSC (0.37) CTSC

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012006938-A1 PHARMACEUTICAL COMPOSITION CAPABLE OF TARGETED RELEASE OF TRACE ELEMENT, AND PREPARATION METHOD AND APPLICATION OF PHARMACEUTICAL COMPOSITION 四川大学华西医院 (CN) 2012-01-19 — — WO disclosed
WO-2005097061-A1 ENCAPSULATED PEPTIDE COPPER COMPLEXES AND COMPOSITIONS AND METHODS RELATED THERETO PROCYTE CORPORATION (US) 2005-10-20 — — WO disclosed
EP-0269105-B1 Derivatives of cyclohexane, preparations containing them and their use PERSTORP AB (SE) 1999-02-03 — — EP disclosed
US-5278332-A Derivatives of cyclohexane PERSTORP AB (SE) 1994-01-11 — — US disclosed
US-5274161-A Derivatives of cyclohexane PERSTORP AB (SE) 1993-12-28 — — US disclosed
US-5157140-A ESTERS OF MYO-INOSITOL PHOSPHATE PERSTORP AB (SE) 1992-10-20 — — US disclosed
EP-0269105-A2 Derivatives of cyclohexane, preparations containing them and their use PERSTORP AB (SE) 1988-06-01 — — EP disclosed
US-4698330-A N-ACETYLMURAMYLOLIGOPEPTIDES TO INDUCE A NATURAL SLEEP OF THE SLOW-WAVE TYPE PRESIDENT & FELLOWS OF HARVARD COLLEGE (US) 1987-10-06 — — US disclosed
US-4082736-A NOVEL IMMUNOLOGICAL ADJUVANT COMPOUNDS AND METHODS OF PREPARATION THEREOF SYNTEX (U.S.A.) INC. (US) 1978-04-04 — — US disclosed
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