SCHEMBL9765252

SCHEMBL9765252

CC(C)(Cc1ccc(OCC(=O)O)cc1)NS(=O)(=O)c1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 1/20 0.48
TBXAS1 P24557 1/20 0.48
ALDH1A1 P00352 3/20 0.48
SGMS1 Q86VZ5 2/20 0.47
TSHR P16473 2/20 0.46
EGFR P00533 1/20 0.46
ERBB2 P04626 1/20 0.46
IDO1 P14902 1/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.45
TDP1 Q9NUW8 2/20 0.44
KDM4E B2RXH2 1/20 0.44
PPARA Q07869 2/20 0.44
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 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
SCHEMBL9765317 0.90 PTGS2 (0.52) ALDH1A1SGMS1TSHREGFRERBB2
SCHEMBL9765279 0.80 TSHR (0.55) ALDH1A1TSHREGFRERBB2TDP1
SCHEMBL9661154 0.79 SGMS1 (0.62) TBXA2RTBXAS1ALDH1A1SGMS1TSHR
SCHEMBL8840163 0.77 TBXA2R (0.79) TBXA2RTBXAS1ALDH1A1SGMS1SMN1; SMN2
SCHEMBL9510498 0.77 ADRB2 (0.52) TBXA2RTBXAS1ALDH1A1SGMS1EGFR
SCHEMBL31134770 0.75 ALDH1A1 (0.63) ALDH1A1TDP1SMN1; SMN2
SCHEMBL6539832 0.74 ALDH1A1 (0.57) TBXA2RTBXAS1ALDH1A1IDO1GAA
SCHEMBL9513663 0.74 MMP2 (0.55) TBXA2RTBXAS1ALDH1A1SGMS1TDP1
Dimethylamine SCHEMBL28262136 0.73 TSHR (0.61) ALDH1A1TSHRTDP1KDM4ESMN1; SMN2
SCHEMBL40485 0.73 ALOX15 (0.65) ALDH1A1TDP1SMN1; 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