SCHEMBL11835446

SCHEMBL11835446

O=C(O)CC(O)Cc1ccc(-c2ccccc2)c(Br)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MMP12 P39900 7/20 0.49
▸ MMP13 P45452 6/20 0.49
▸ MMP2 P08253 1/20 0.49
▸ MMP9 P14780 1/20 0.49
▸ MMP14 P50281 1/20 0.49
▸ TRPA1 O75762 1/20 0.40
▸ PDCD1 Q15116 1/20 0.39
▸ CD274 Q9NZQ7 1/20 0.39
▸ FOLH1 Q04609 1/20 0.39
▸ TRPV1 Q8NER1 1/20 0.39
▸ PPARG P37231 1/20 0.39
▸ PPARA Q07869 1/20 0.39
▸ CPA1 P15085 2/20 0.37
▸ CPB1 P15086 1/20 0.37
▸ CPA3 P15088 1/20 0.37
▸ CPB2 Q96IY4 1/20 0.37
▸ FFAR1 O14842 1/20 0.37

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
SCHEMBL11829707 0.84 ABCC4 (0.39) MMP12MMP13MMP2MMP9MMP14
SCHEMBL11834123 0.83 PPARG (0.53) MMP12MMP13MMP2MMP9MMP14
SCHEMBL11826199 0.83 CSNK2A1 (0.53) MMP12MMP13MMP2MMP9MMP14
SCHEMBL11830862 0.82 ALDH1A1 (0.39) MMP12MMP13MMP2MMP9MMP14
SCHEMBL11837906 0.79 ALDH1A1 (0.45) MMP12MMP13MMP2MMP9MMP14
SCHEMBL6800633 0.78 MMP12 (0.70) MMP12MMP13MMP2MMP9MMP14
SCHEMBL379630 0.78 MMP12 (0.70) MMP12MMP13MMP2MMP9MMP14
SCHEMBL11835452 0.78 CD274 (0.43) TRPA1PDCD1CD274FOLH1PPARG
SCHEMBL11830281 0.78 CD274 (0.43) PDCD1CD274FOLH1PPARGPPARA
SCHEMBL11830311 0.74 MMP12 (0.42) MMP12MMP13MMP2MMP9MMP14

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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