SCHEMBL9765257

SCHEMBL9765257

COc1ccc(C[C@@H](C)NS(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.67
POLB P06746 2/20 0.67
EGFR P00533 1/20 0.56
ERBB2 P04626 1/20 0.56
MMP2 P08253 3/20 0.55
MMP9 P14780 3/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.54
HTR7 P34969 1/20 0.53
SIGMAR1 Q99720 1/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
MMP8 P22894 1/20 0.50
MMP13 P45452 1/20 0.50
MMP14 P50281 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL9765301 1.00 ALDH1A1 (0.67) ALDH1A1POLBEGFRERBB2MMP2
SCHEMBL27284050 0.86 ALDH1A1 (0.71) ALDH1A1POLBMMP2MMP9CYP1A2
SCHEMBL9765250 0.86 ALDH1A1 (0.57) ALDH1A1POLBMMP2MMP9SMN1; SMN2
SCHEMBL9765267 0.83 ADAMTS4 (0.55) ALDH1A1POLBMMP2MMP9SMN1; SMN2
SCHEMBL9765251 0.83 TBXA2R (0.60) ALDH1A1POLBCYP1A2CYP2C9CYP2C19
SCHEMBL9765276 0.83 TBXA2R (0.60) ALDH1A1POLBCYP1A2CYP2C9CYP2C19
SCHEMBL9765248 0.83 TBXA2R (0.60) ALDH1A1POLBCYP1A2CYP2C9CYP2C19
SCHEMBL9765320 0.82 ALDH1A1 (0.57) ALDH1A1POLBMMP2MMP9CYP1A2
SCHEMBL9707094 0.82 ALDH1A1 (0.57) ALDH1A1POLBMMP2MMP9CYP1A2
SCHEMBL9707087 0.82 ALDH1A1 (0.57) ALDH1A1POLBMMP2MMP9CYP1A2

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