SCHEMBL11828625

SCHEMBL11828625

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP12 P39900 3/20 0.46
▸ SRR Q9GZT4 2/20 0.46
▸ PSAT1 Q9Y617 2/20 0.46
▸ MMP2 P08253 1/20 0.46
▸ MMP9 P14780 1/20 0.46
▸ MMP13 P45452 1/20 0.46
▸ MMP14 P50281 1/20 0.46
▸ FFAR1 O14842 1/20 0.45
▸ MMEL1 Q495T6 2/20 0.45
▸ ABCC4 O15439 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ PTGS1 P23219 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ PPARG P37231 6/20 0.41
▸ PPARA Q07869 5/20 0.41
▸ CPA1 P15085 2/20 0.41
▸ CPB1 P15086 1/20 0.41
▸ CPA3 P15088 1/20 0.41

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
SCHEMBL11829367 0.88 SRR (0.51) MMP12SRRPSAT1MMP2MMP9
SCHEMBL11834777 0.82 MMP12 (0.48) MMP12SRRPSAT1MMP2MMP9
SCHEMBL11828675 0.82 MMP12 (0.50) MMP12SRRPSAT1MMP2MMP9
SCHEMBL11836974 0.81 MMP12 (0.47) MMP12SRRPSAT1MMP2MMP9
SCHEMBL26314594 0.81 NOS1 (0.57) LMNACPA1CPB1CPA3CPB2
SCHEMBL11828266 0.80 MMP12 (0.46) MMP12SRRPSAT1MMP2MMP9
SCHEMBL11833295 0.78 MMP12 (0.43) MMP12SRRPSAT1MMP2MMP9
SCHEMBL11832270 0.77 SRR (0.46) MMP12SRRPSAT1FFAR1ABCC4
SCHEMBL11835427 0.77 MMEL1 (0.48) MMP12MMP2MMP9MMP13MMP14
SCHEMBL11833110 0.77 HPGD (0.46) MMP12SRRPSAT1MMP2MMP9

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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