SCHEMBL11834712

SCHEMBL11834712

CCNc1cc(C(Cl)CCC(=O)O)ccc1-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.39
▸ KCNQ2 O43526 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ CYP2C9 P11712 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ SOAT1 P35610 2/20 0.36
▸ FABP4 P15090 1/20 0.36
▸ PTGS1 P23219 3/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ PTGS2 P35354 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ FABP2 P12104 1/20 0.36
▸ TSHR P16473 1/20 0.36

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
SCHEMBL11829750 0.88 HDAC1 (0.43) MAPTKCNQ2ALDH1A1KDM4ECYP1A2
SCHEMBL11826969 0.81 AKR1C3 (0.44) MAPTALDH1A1KDM4ECYP1A2CYP2C9
SCHEMBL11826110 0.81 HPGD (0.38) MAPTALDH1A1KDM4ECYP1A2CYP2C9
SCHEMBL11836851 0.80 ALOX5 (0.42) MAPTALDH1A1KDM4ECYP1A2CYP2C9
SCHEMBL11830155 0.79 PRKAG1 (0.44) MAPTALDH1A1KDM4ECYP1A2CYP2C9
SCHEMBL11836380 0.79 PTGS1 (0.38) MAPTALDH1A1KDM4ECYP1A2CYP2C9
SCHEMBL11829271 0.78 ADAMTS4 (0.38) MAPTALDH1A1KDM4ECYP1A2CYP2C9
SCHEMBL11829192 0.78 HPGD (0.38) MAPTALDH1A1KDM4ECYP1A2CYP2C9
SCHEMBL11831306 0.78 AKR1C3 (0.56) MAPTCYP1A2CYP2C9HPGDCYP2C19
SCHEMBL11825726 0.78 ALDH1A1 (0.38) MAPTALDH1A1KDM4ECYP1A2CYP2C9

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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