SCHEMBL11830972

SCHEMBL11830972

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

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 5/20 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
▸ HCAR2 Q8TDS4 2/20 0.43
▸ 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
▸ PPARA Q07869 4/20 0.41
▸ PPARG P37231 3/20 0.41
▸ ACE P12821 1/20 0.40
▸ CPA1 P15085 1/20 0.40
▸ ACE2 Q9BYF1 1/20 0.40

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
SCHEMBL11834506 0.85 CSNK2A1 (0.50) PPARAPPARG
SCHEMBL11830736 0.83 ALDH1A1 (0.43) MMEKMT2APPARAPPARGACE
SCHEMBL11827701 0.83 MME (0.50) MMEMAOBITGB1ITGA4ITGB7
SCHEMBL11829764 0.82 MAOB (0.49) MMEMAOBITGB1ITGA4ITGB7
SCHEMBL11823908 0.81 PPARG (0.50) MMEPPARAPPARGACE
SCHEMBL11824795 0.79 ADAMTS4 (0.52) MEN1KMT2ATDP1PPARAPPARG
SCHEMBL4959048 0.78 ALOX15 (0.63) MMEMAOBCYP2A6MEN1ALOX15
SCHEMBL31398344 0.78 ALOX15 (0.63) MMEMAOBCYP2A6MEN1ALOX15
SCHEMBL11828202 0.78 MAOB (0.44) MMEMAOBITGB1ITGA4ITGB7
SCHEMBL11824499 0.77 MME (0.62) MMEMAOBCYP2A6HCAR2PPARA

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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