SCHEMBL9765262

SCHEMBL9765262

CCC(NS(=O)(=O)c1ccccc1)c1ccc(O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
ATM Q13315 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
KCNA5 P22460 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
PRKCG P05129 1/20 0.46
PRKCB P05771 1/20 0.46
PRKCD Q05655 1/20 0.46
EEF2K O00418 4/20 0.45
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
CA12 O43570 1/20 0.44
MMP2 P08253 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
ADAMTS4 O75173 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL9765296 0.88 SMN1; SMN2 (0.57) ALDH1A1ATML3MBTL1KCNA5SMN1; SMN2
SCHEMBL11103819 0.85 L3MBTL1 (0.53) ALDH1A1ATML3MBTL1KCNA5SMN1; SMN2
SCHEMBL11108374 0.83 ALDH1A1 (0.61) ALDH1A1ATML3MBTL1KCNA5SMN1; SMN2
SCHEMBL9765306 0.82 KCNA5 (0.55) ALDH1A1ATML3MBTL1KCNA5SMN1; SMN2
SCHEMBL9765264 0.82 KCNA5 (0.55) ALDH1A1ATML3MBTL1KCNA5SMN1; SMN2
SCHEMBL9765258 0.80 ALDH1A1 (0.57) ALDH1A1ATML3MBTL1EEF2KKMT2A
SCHEMBL9765292 0.79 CYP1A2 (0.49) ALDH1A1ATML3MBTL1KCNA5SMN1; SMN2
SCHEMBL1287270 0.79 MAPT (0.57) ALDH1A1ATML3MBTL1KCNA5SMN1; SMN2
SCHEMBL1287380 0.79 ALDH1A1 (0.56) ALDH1A1ATML3MBTL1KCNA5EEF2K
SCHEMBL15388076 0.79 ALDH1A1 (0.56) ALDH1A1ATML3MBTL1KCNA5EEF2K

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