SCHEMBL11833295

SCHEMBL11833295

O=C(O)CC(Cc1ccc(-c2ccccc2)cc1)SC(=O)c1ccccc1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP12 P39900 2/20 0.43
▸ MMP2 P08253 1/20 0.43
▸ MMP9 P14780 1/20 0.43
▸ MMP13 P45452 1/20 0.43
▸ MMP14 P50281 1/20 0.43
▸ MMEL1 Q495T6 2/20 0.43
▸ FFAR1 O14842 1/20 0.43
▸ CDC25B P30305 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ ABCC4 O15439 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ PTGS1 P23219 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ SRR Q9GZT4 2/20 0.40
▸ PSAT1 Q9Y617 2/20 0.40
▸ PPARG P37231 6/20 0.40
▸ PPARA Q07869 5/20 0.40
▸ MME P08473 1/20 0.40

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
SCHEMBL11836974 0.85 MMP12 (0.47) MMP12MMP2MMP9MMP13MMP14
SCHEMBL11829367 0.80 SRR (0.51) MMP12MMP2MMP9MMP13MMP14
SCHEMBL11834777 0.80 MMP12 (0.48) MMP12MMP2MMP9MMP13MMP14
SCHEMBL11828675 0.80 MMP12 (0.50) MMP12MMP2MMP9MMP13MMP14
SCHEMBL11828625 0.78 MMP12 (0.46) MMP12MMP2MMP9MMP13MMP14
SCHEMBL11828266 0.78 MMP12 (0.46) MMP12MMP2MMP9MMP13MMP14
SCHEMBL7290221 0.75 CPA1 (0.50) MMP12MMP2MMP9PTGS1CPA1
SCHEMBL11835427 0.75 MMEL1 (0.48) MMP12MMP2MMP9MMP13MMP14
SCHEMBL11833110 0.75 HPGD (0.46) MMP12MMP2MMP9MMP13MMP14
SCHEMBL11836431 0.75 MMP12 (0.43) MMP12MMP2MMP9MMP13MMP14

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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