SCHEMBL9765314

SCHEMBL9765314

CCC(Cc1ccc(OCC(=O)O)cc1)NS(=O)(=O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 1/20 0.58
TBXAS1 P24557 1/20 0.58
ALDH1A1 P00352 5/20 0.50
PIN1 Q13526 1/20 0.49
MMP2 P08253 4/20 0.48
MMP9 P14780 3/20 0.48
POLB P06746 1/20 0.48
TSHR P16473 1/20 0.48
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47
CTSL P07711 1/20 0.46
CTSS P25774 1/20 0.46
HTT P42858 1/20 0.45
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44

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
SCHEMBL27463608 0.85 MMP2 (0.62) TBXA2RTBXAS1ALDH1A1MMP2MMP9
SCHEMBL9765276 0.85 TBXA2R (0.60) TBXA2RTBXAS1ALDH1A1POLB
SCHEMBL9765248 0.85 TBXA2R (0.60) TBXA2RTBXAS1ALDH1A1POLB
SCHEMBL9765251 0.85 TBXA2R (0.60) TBXA2RTBXAS1ALDH1A1POLB
SCHEMBL9513663 0.84 MMP2 (0.55) TBXA2RTBXAS1ALDH1A1PIN1MMP2
SCHEMBL9765289 0.81 NR3C1 (0.62) PIN1MMP2MMP9CTSLCTSS
SCHEMBL9765258 0.81 ALDH1A1 (0.57) TBXA2RTBXAS1ALDH1A1POLBTSHR
SCHEMBL9472791 0.78 ALDH1A1 (0.63) TBXA2RTBXAS1ALDH1A1POLBTSHR
SCHEMBL9765323 0.76 TBXA2R (0.52) TBXA2RTBXAS1ALDH1A1POLBTSHR
SCHEMBL9765267 0.76 ADAMTS4 (0.55) TBXA2RTBXAS1ALDH1A1MMP2MMP9

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