SCHEMBL10741558

SCHEMBL10741558

Cc1cccc(CSc2ccc(C(F)(F)F)cc2C(=O)O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FKBP1A P62942 1/20 0.47
▸ GFER P55789 1/20 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
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ MAPT P10636 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ MRGPRX4 Q96LA9 1/20 0.43
▸ KCNQ3 O43525 1/20 0.43
▸ KCNQ2 O43526 1/20 0.43
▸ EPHX1 P07099 2/20 0.43
▸ PPARG P37231 1/20 0.41
▸ PPARA Q07869 1/20 0.41
▸ PTPRG P23470 1/20 0.41
▸ SORT1 Q99523 3/20 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
SCHEMBL11823732 0.90 GFER (0.54) FKBP1AGFERCYP1A2CYP3A4ALPG
SCHEMBL10746094 0.87 FKBP1A (0.53) FKBP1AGFERCYP2C9L3MBTL1KCNQ3
SCHEMBL10741387 0.87 L3MBTL1 (0.47) GFERCYP1A2CYP3A4ALPGCYP2C9
SCHEMBL11821844 0.86 FKBP1A (0.52) FKBP1AGFERCYP2C9L3MBTL1KCNQ3
Ammonia Solution, Strong SCHEMBL11820558 0.86 FKBP1A (0.52) FKBP1AGFERCYP2C9L3MBTL1KCNQ3
SCHEMBL11819040 0.86 FKBP1A (0.52) FKBP1AGFERCYP2C9L3MBTL1KCNQ3
SCHEMBL11825095 0.86 FKBP1A (0.52) FKBP1AGFERCYP2C9L3MBTL1KCNQ3
SCHEMBL11821280 0.86 FKBP1A (0.52) FKBP1AGFERCYP2C9L3MBTL1KCNQ3
SCHEMBL11820125 0.86 FKBP1A (0.52) FKBP1AGFERCYP2C9L3MBTL1KCNQ3
SCHEMBL11819472 0.85 FKBP1A (0.47) FKBP1AGFERCYP1A2CYP3A4ALPG

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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