SCHEMBL11837755

SCHEMBL11837755

CC(Cc1ccc(-c2ccccc2Br)cc1)C(O)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ TRPA1 O75762 2/20 0.43
▸ PPARA Q07869 7/20 0.41
▸ PPARG P37231 6/20 0.41
▸ MME P08473 7/20 0.40
▸ ACE P12821 7/20 0.40
▸ CPA1 P15085 4/20 0.40
▸ ACE2 Q9BYF1 4/20 0.40
▸ KMT2A Q03164 1/20 0.39
▸ SRR Q9GZT4 1/20 0.38
▸ PSAT1 Q9Y617 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
SCHEMBL11835452 0.85 CD274 (0.43) TRPA1PPARAPPARGMMEACE
SCHEMBL11827701 0.83 MME (0.50) TRPA1PPARAPPARGMMEKMT2A
SCHEMBL11830736 0.83 ALDH1A1 (0.43) ALDH1A1MAPK1PPARAPPARGMME
SCHEMBL11825730 0.81 MME (0.47) TRPA1PPARAPPARGMMEACE
SCHEMBL8289807 0.80 TRPA1 (0.63) TRPA1ACECPA1KMT2ASRR
SCHEMBL14946403 0.80 TRPA1 (0.63) TRPA1ACECPA1KMT2ASRR
SCHEMBL11831724 0.79 ADAMTS4 (0.52) ALDH1A1TRPA1PPARAPPARGCPA1
SCHEMBL11830999 0.76 PPARG (0.51) PPARAPPARGMMEACECPA1
SCHEMBL11829462 0.74 MMP12 (0.47) ALDH1A1MAPK1PPARAMMEACE
SCHEMBL11833610 0.74 CSNK2A1 (0.50) PPARAPPARGKMT2A

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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