SCHEMBL11826932

SCHEMBL11826932

CCONC(=S)SC(CCc1ccc(-c2ccccc2Cl)cc1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 2/20 0.41
▸ HCAR2 Q8TDS4 2/20 0.41
▸ MME P08473 2/20 0.38
▸ ITGB1 P05556 4/20 0.36
▸ ITGA4 P13612 4/20 0.36
▸ ITGB7 P26010 4/20 0.36
▸ FFAR1 O14842 2/20 0.36
▸ FFAR4 Q5NUL3 1/20 0.36
▸ S1PR1 P21453 1/20 0.36
▸ S1PR3 Q99500 1/20 0.36
▸ BRS3 P32247 1/20 0.35
▸ PPARG P37231 1/20 0.35
▸ PPARA Q07869 1/20 0.35
▸ MMP12 P39900 1/20 0.34

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
Alcohol SCHEMBL11826938 0.86 MAOB (0.46) MAOBHCAR2MMEITGB1ITGA4
SCHEMBL11828270 0.83 MAOB (0.42) MAOBHCAR2MMEITGB1ITGA4
Ethane SCHEMBL11827755 0.82 MAOB (0.48) MAOBHCAR2MMEITGB1ITGA4
SCHEMBL11823509 0.82 MAOB (0.45) MAOBHCAR2MMEITGB1ITGA4
SCHEMBL11829318 0.81 MAOB (0.50) MAOBHCAR2MMEITGB1ITGA4
SCHEMBL11831427 0.81 MAOB (0.47) MAOBHCAR2MMEITGB1ITGA4
SCHEMBL11832380 0.81 AKR1C3 (0.37) MAOBHCAR2MME
SCHEMBL11827741 0.81 HCAR2 (0.43) MAOBHCAR2MMEITGB1ITGA4
SCHEMBL11830406 0.80 HCAR2 (0.44) MAOBHCAR2MMEFFAR1BRS3
SCHEMBL11834365 0.79 MAOB (0.48) MAOBHCAR2MMEITGB1ITGA4

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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