SCHEMBL11837182

SCHEMBL11837182

CC(C(=O)O)C(C)(Cl)Cc1ccc(-c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 6/20 0.46
▸ ACE P12821 5/20 0.46
▸ ACE2 Q9BYF1 4/20 0.46
▸ CPA1 P15085 3/20 0.45
▸ PTGS2 P35354 1/20 0.45
▸ GAA P10253 2/20 0.43
▸ ABCC4 O15439 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ PTGS1 P23219 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ SRR Q9GZT4 1/20 0.42
▸ PSAT1 Q9Y617 1/20 0.42
▸ MMEL1 Q495T6 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ PKM P14618 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
SCHEMBL11824214 0.74 LMNA (0.50) MMEACEACE2GAAABCC4
SCHEMBL30901114 0.74 TAAR1 (0.47) GAAABCC4LMNATSHRPTGS1
SCHEMBL13889581 0.73 ESR1 (0.54) GAAABCC4LMNATSHRPTGS1
SCHEMBL11837950 0.73 PTGS2 (0.54) PTGS2GAACYP1A2CYP2C9PKM
SCHEMBL5171029 0.73 ABCC4 (0.52) MMEACEACE2GAAABCC4
SCHEMBL20661665 0.73 ABCC4 (0.52) MMEACEACE2GAAABCC4
SCHEMBL11836244 0.71 MME (0.52) MMEACEACE2CPA1GAA
SCHEMBL6594704 0.71 NPC1 (0.47) LMNATSHRPTGS1HTTCYP1A2
SCHEMBL6532058 0.70 BLM (0.69) MMEACEACE2PTGS2GAA
SCHEMBL14037306 0.70 BLM (0.69) MMEACEACE2PTGS2GAA

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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