SCHEMBL11837137

SCHEMBL11837137

CC(=O)SC(CC(=O)O)Cc1ccc(-c2ccccc2Cl)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 6/20 0.55
▸ MAOB P27338 2/20 0.43
▸ MMEL1 Q495T6 2/20 0.40
▸ HCAR2 Q8TDS4 1/20 0.40
▸ FFAR2 O15552 2/20 0.39
▸ ITGB1 P05556 2/20 0.39
▸ ITGA4 P13612 2/20 0.39
▸ ITGB7 P26010 1/20 0.39
▸ CYP2A6 P11509 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ DHODH Q02127 1/20 0.39
▸ FFAR1 O14842 1/20 0.38

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
SCHEMBL11826532 0.86 CSNK2A1 (0.46) MMEHCAR2FFAR1
SCHEMBL11834777 0.85 MMP12 (0.48) MMEMMEL1FFAR1
SCHEMBL6155924 0.82 CPA1 (0.51) MEN1KMT2A
SCHEMBL11837145 0.82 DPP4 (0.40) MMEFFAR2MEN1KMT2A
SCHEMBL11824499 0.79 MME (0.62) MMEMAOBMMEL1HCAR2CYP2A6
SCHEMBL11828626 0.79 MME (0.62) MMEMAOBMMEL1HCAR2ITGB1
SCHEMBL11822857 0.77 PTGS1 (0.47) MEN1KMT2A
SCHEMBL11831427 0.75 MAOB (0.47) MMEMAOBHCAR2ITGB1ITGA4
SCHEMBL11828266 0.75 MMP12 (0.46) MMEMMEL1FFAR1
SCHEMBL11832270 0.75 SRR (0.46) MMEFFAR1

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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