SCHEMBL9765264

SCHEMBL9765264

CC[C@@H](NS(=O)(=O)c1ccccc1)c1ccc(OC)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 2/20 0.55
ALDH1A1 P00352 8/20 0.53
POLB P06746 2/20 0.53
CNR1 P21554 1/20 0.53
EGFR P00533 1/20 0.49
ERBB2 P04626 1/20 0.49
ATM Q13315 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HTT P42858 1/20 0.47
MMP2 P08253 2/20 0.47
CA12 O43570 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MMP9 P14780 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL9765306 1.00 KCNA5 (0.55) KCNA5ALDH1A1POLBCNR1EGFR
SCHEMBL9765258 0.83 ALDH1A1 (0.57) ALDH1A1POLBATML3MBTL1HTT
SCHEMBL9765318 0.82 ALDH1A1 (0.46) KCNA5ALDH1A1CNR1EGFRERBB2
SCHEMBL9765262 0.82 ALDH1A1 (0.53) KCNA5ALDH1A1ATML3MBTL1MMP2
SCHEMBL9765292 0.82 CYP1A2 (0.49) KCNA5ALDH1A1CNR1ATML3MBTL1
SCHEMBL1287475 0.82 MAPT (0.58) KCNA5ALDH1A1ATML3MBTL1MMP2
SCHEMBL15388015 0.82 MAPT (0.58) KCNA5ALDH1A1ATML3MBTL1MMP2
SCHEMBL29183283 0.81 ALDH1A1 (0.55) KCNA5ALDH1A1POLBCNR1ATM
SCHEMBL9765324 0.80 ALDH1A1 (0.48) ALDH1A1POLBL3MBTL1HTTSMN1; SMN2
SCHEMBL11103819 0.80 L3MBTL1 (0.53) KCNA5ALDH1A1ATML3MBTL1SMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0255728-B1 PHENOXYACETIC ACID COMPOUNDS, THEIR PREPARATION, PHARMACEUTICAL COMPOSITION AND USE TANABE SEIYAKU CO., LTD. (JP) 1991-11-27 EP disclosed
US-4866196-A ANTICOAGULANTS TANABE SEIYAKU CO., LTD. (JP) 1989-09-12 US disclosed
EP-0255728-A2 Phenoxyacetic acid compounds, their preparation, pharmaceutical composition and use TANABE SEIYAKU CO., LTD. (JP) 1988-02-10 EP disclosed