SCHEMBL10745596

SCHEMBL10745596

COC(=O)c1cc(C(F)(F)F)ccc1SCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.49
▸ PKM P14618 1/20 0.49
▸ CFTR P13569 1/20 0.49
▸ KMT2A Q03164 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ MAPT P10636 2/20 0.44
▸ HTT P42858 2/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.44
▸ GAA P10253 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ KCNQ3 O43525 1/20 0.44
▸ KCNQ2 O43526 1/20 0.44
▸ MRGPRX4 Q96LA9 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ TP53 P04637 1/20 0.42
▸ CES2 O00748 1/20 0.42
▸ TRPV1 Q8NER1 1/20 0.42

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 0.91 MAPT (0.53) L3MBTL1CFTRALDH1A1MAPTHTT
SCHEMBL10747092 0.89 CFTR (0.48) L3MBTL1CFTRALDH1A1MAPTHTT
SCHEMBL10741387 0.88 L3MBTL1 (0.47) L3MBTL1CFTRALDH1A1MAPTHTT
SCHEMBL10740889 0.88 MAPT (0.49) L3MBTL1CFTRMAPTHTTNPSR1
SCHEMBL10746093 0.87 LRRK2 (0.48) L3MBTL1CFTRKMT2AMAPTHTT
SCHEMBL10746094 0.85 FKBP1A (0.53) L3MBTL1KMT2AALDH1A1HPGDKCNQ3
SCHEMBL11821280 0.84 FKBP1A (0.52) L3MBTL1KMT2AALDH1A1HPGDKCNQ3
SCHEMBL11819040 0.84 FKBP1A (0.52) L3MBTL1KMT2AALDH1A1HPGDKCNQ3
SCHEMBL11825095 0.84 FKBP1A (0.52) L3MBTL1KMT2AALDH1A1HPGDKCNQ3
SCHEMBL11821844 0.84 FKBP1A (0.52) L3MBTL1KMT2AALDH1A1HPGDKCNQ3

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 2 patents. 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
US-3954994-A Intermediates for preparing hipolipemic agents and method of lowering the blood lipid level in mammals with said agents PFIZER INC. (US) 1976-05-04 — — US disclosed
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