SCHEMBL9765292

SCHEMBL9765292

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.49
GAA P10253 1/20 0.49
CYP2C9 P11712 1/20 0.49
PKM P14618 1/20 0.49
CYP2C19 P33261 1/20 0.49
ALDH1A1 P00352 4/20 0.47
ATM Q13315 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
CRHBP P24387 1/20 0.47
HTT P42858 1/20 0.47
CRHR2 Q13324 1/20 0.47
MMP9 P14780 1/20 0.46
KCNA5 P22460 2/20 0.45
ADRB3 P13945 5/20 0.44
ADAMTS4 O75173 4/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MMP13 P45452 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
SCHEMBL9765318 0.86 ALDH1A1 (0.46) ALDH1A1ATML3MBTL1MMP9KCNA5
SCHEMBL9765264 0.82 KCNA5 (0.55) ALDH1A1ATML3MBTL1HTTMMP9
SCHEMBL9765306 0.82 KCNA5 (0.55) ALDH1A1ATML3MBTL1HTTMMP9
SCHEMBL9765258 0.81 ALDH1A1 (0.57) ALDH1A1ATML3MBTL1MAPTHTT
SCHEMBL11103819 0.79 L3MBTL1 (0.53) ALDH1A1ATML3MBTL1KCNA5SMN1; SMN2
SCHEMBL9765262 0.79 ALDH1A1 (0.53) CYP1A2CYP2C9CYP2C19ALDH1A1ATM
SCHEMBL11108374 0.77 ALDH1A1 (0.61) CYP1A2CYP2C9CYP2C19ALDH1A1ATM
SCHEMBL15388015 0.76 MAPT (0.58) GAAALDH1A1ATML3MBTL1LMNA
SCHEMBL1287475 0.76 MAPT (0.58) GAAALDH1A1ATML3MBTL1LMNA
SCHEMBL15388142 0.73 ALDH1A1 (0.60) CYP1A2GAACYP2C9CYP2C19ALDH1A1

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