SCHEMBL11829367

SCHEMBL11829367

NC(=O)SC(CC(=O)O)Cc1ccc(-c2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRR Q9GZT4 2/20 0.51
▸ PSAT1 Q9Y617 2/20 0.51
▸ MMP12 P39900 4/20 0.48
▸ MMP13 P45452 2/20 0.48
▸ MMP2 P08253 1/20 0.48
▸ MMP9 P14780 1/20 0.48
▸ MMP14 P50281 1/20 0.48
▸ FFAR1 O14842 2/20 0.47
▸ MMEL1 Q495T6 1/20 0.47
▸ ABCC4 O15439 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ PTGS1 P23219 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ PPARG P37231 6/20 0.43
▸ PPARA Q07869 5/20 0.43
▸ CPA1 P15085 2/20 0.42
▸ CPB1 P15086 1/20 0.42
▸ CPA3 P15088 1/20 0.42

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
SCHEMBL11828625 0.88 MMP12 (0.46) SRRPSAT1MMP12MMP13MMP2
SCHEMBL11834777 0.85 MMP12 (0.48) SRRPSAT1MMP12MMP13MMP2
SCHEMBL11828675 0.84 MMP12 (0.50) SRRPSAT1MMP12MMP13MMP2
SCHEMBL11836974 0.84 MMP12 (0.47) SRRPSAT1MMP12MMP13MMP2
SCHEMBL11828266 0.82 MMP12 (0.46) SRRPSAT1MMP12MMP13MMP2
SCHEMBL11833295 0.80 MMP12 (0.43) SRRPSAT1MMP12MMP13MMP2
SCHEMBL11832270 0.79 SRR (0.46) SRRPSAT1MMP12FFAR1ABCC4
SCHEMBL11835427 0.79 MMEL1 (0.48) MMP12MMP13MMP2MMP9MMP14
SCHEMBL11836431 0.79 MMP12 (0.43) SRRPSAT1MMP12MMP13MMP2
SCHEMBL11833110 0.79 HPGD (0.46) SRRPSAT1MMP12MMP13MMP2

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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