SCHEMBL11827316

SCHEMBL11827316

CN(C)C(=O)SC(CCc1ccc(-c2ccccc2Cl)cc1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 2/20 0.44
▸ HCAR2 Q8TDS4 2/20 0.42
▸ ITGB1 P05556 4/20 0.41
▸ ITGA4 P13612 4/20 0.41
▸ ITGB7 P26010 4/20 0.41
▸ MME P08473 1/20 0.39
▸ NR4A2 P43354 2/20 0.38
▸ NR4A1 P22736 1/20 0.38
▸ NR4A3 Q92570 1/20 0.38
▸ BRS3 P32247 1/20 0.38
▸ GRM2 Q14416 1/20 0.37
▸ FFAR1 O14842 1/20 0.36
▸ CYP2A6 P11509 1/20 0.36
▸ PTGER1 P34995 1/20 0.36
▸ PTGER4 P35408 1/20 0.36
▸ PTGER3 P43115 1/20 0.36
▸ PTGER2 P43116 1/20 0.36
▸ AOC3 Q16853 1/20 0.36

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
SCHEMBL11822596 0.89 MAOB (0.42) MAOBHCAR2ITGB1ITGA4ITGB7
SCHEMBL11831427 0.87 MAOB (0.47) MAOBHCAR2ITGB1ITGA4ITGB7
SCHEMBL11823509 0.85 MAOB (0.45) MAOBHCAR2ITGB1ITGA4ITGB7
Ethane SCHEMBL11827755 0.85 MAOB (0.48) MAOBHCAR2ITGB1ITGA4ITGB7
SCHEMBL11829318 0.84 MAOB (0.50) MAOBHCAR2ITGB1ITGA4ITGB7
SCHEMBL11829300 0.84 MAOB (0.49) MAOBHCAR2ITGB1ITGA4ITGB7
SCHEMBL11823437 0.83 MAOB (0.46) MAOBHCAR2ITGB1ITGA4ITGB7
SCHEMBL11830406 0.83 HCAR2 (0.44) MAOBHCAR2MMEBRS3FFAR1
Alcohol SCHEMBL11826938 0.83 MAOB (0.46) MAOBHCAR2ITGB1ITGA4ITGB7
SCHEMBL11834365 0.82 MAOB (0.48) MAOBHCAR2ITGB1ITGA4ITGB7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3966801-A ANTIINFLAMMATORY AGENTS WILLIAM H. RORER, INC. (US) 1976-06-29 — — US disclosed
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