SCHEMBL10741387

SCHEMBL10741387

COC(=O)c1cc(C(F)(F)F)ccc1SCc1cccc(C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ ALPG P10696 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ TP53 P04637 1/20 0.46
▸ MAPT P10636 4/20 0.46
▸ HPGD P15428 4/20 0.46
▸ NPSR1 Q6W5P4 3/20 0.46
▸ HTT P42858 2/20 0.46
▸ GAA P10253 1/20 0.46
▸ LMNA P02545 2/20 0.45
▸ CFTR P13569 1/20 0.45
▸ ALDH1A1 P00352 4/20 0.44
▸ MRGPRX4 Q96LA9 2/20 0.43
▸ GFER P55789 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ EPHX1 P07099 1/20 0.40
▸ KDM4E B2RXH2 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
SCHEMBL10741661 0.92 MAPT (0.53) L3MBTL1CYP1A2CYP3A4ALPGCYP2C9
SCHEMBL10745596 0.88 L3MBTL1 (0.49) L3MBTL1TP53MAPTHPGDNPSR1
SCHEMBL10746093 0.88 LRRK2 (0.48) L3MBTL1CYP1A2CYP3A4ALPGCYP2C9
SCHEMBL10747092 0.87 CFTR (0.48) L3MBTL1CYP1A2CYP3A4ALPGCYP2C9
SCHEMBL10741558 0.87 FKBP1A (0.47) L3MBTL1CYP1A2CYP3A4ALPGCYP2C9
SCHEMBL10744540 0.84 CFTR (0.47) L3MBTL1CYP1A2CYP3A4ALPGCYP2C9
SCHEMBL10740889 0.81 MAPT (0.49) L3MBTL1CYP1A2CYP2C9CYP2C19TP53
SCHEMBL11823732 0.77 GFER (0.54) L3MBTL1CYP1A2CYP3A4ALPGCYP2C9
SCHEMBL11382713 0.76 MAPT (0.49) L3MBTL1CYP1A2CYP3A4ALPGCYP2C9
SCHEMBL24060649 0.75 MAPT (0.41) L3MBTL1CYP1A2CYP2C19TP53MAPT

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-4663344-A ANTIPYRETICS, ANTIARTHRITIC AGENTS MERCK & CO., INC. (US) 1987-05-05 — — US disclosed
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