SCHEMBL11827701

SCHEMBL11827701

CC(Cc1ccc(-c2ccccc2Cl)cc1)C(O)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 4/20 0.50
▸ MAOB P27338 2/20 0.44
▸ ITGB1 P05556 2/20 0.44
▸ ITGA4 P13612 2/20 0.44
▸ ITGB7 P26010 2/20 0.44
▸ CYP2A6 P11509 1/20 0.43
▸ TRPA1 O75762 2/20 0.43
▸ HCAR2 Q8TDS4 1/20 0.43
▸ PPARA Q07869 5/20 0.42
▸ PPARG P37231 4/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ TDP1 Q9NUW8 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
SCHEMBL11833610 0.85 CSNK2A1 (0.50) PPARAPPARGMEN1KMT2A
SCHEMBL11837755 0.83 ALDH1A1 (0.43) MMETRPA1PPARAPPARGKMT2A
SCHEMBL11830972 0.83 MME (0.50) MMEMAOBITGB1ITGA4ITGB7
SCHEMBL11830999 0.82 PPARG (0.51) MMEPPARAPPARG
SCHEMBL14946403 0.80 TRPA1 (0.63) TRPA1MEN1CYP2C19KMT2AHSD17B10
SCHEMBL8289807 0.80 TRPA1 (0.63) TRPA1MEN1CYP2C19KMT2AHSD17B10
SCHEMBL11831724 0.79 ADAMTS4 (0.52) TRPA1PPARAPPARGMEN1KMT2A
SCHEMBL4959048 0.78 ALOX15 (0.63) MMEMAOBCYP2A6MEN1ALOX15
SCHEMBL31398344 0.78 ALOX15 (0.63) MMEMAOBCYP2A6MEN1ALOX15
SCHEMBL11824499 0.77 MME (0.62) MMEMAOBCYP2A6TRPA1HCAR2

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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