SCHEMBL9765251

SCHEMBL9765251

C[C@H](Cc1ccc(OCC(=O)O)cc1)NS(=O)(=O)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 1/20 0.60
TBXAS1 P24557 1/20 0.60
ALDH1A1 P00352 7/20 0.55
POLB P06746 3/20 0.53
NPSR1 Q6W5P4 1/20 0.50
CYP1A2 P05177 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
ADRB2 P07550 1/20 0.49
ADRB1 P08588 1/20 0.49
ADRB3 P13945 1/20 0.49
ADRA1D P25100 1/20 0.49
ADRA1A P35348 1/20 0.49
ADRA1B P35368 1/20 0.49
CYP2D6 P10635 1/20 0.49
ADAMTS4 O75173 2/20 0.48
MMP13 P45452 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL9765276 1.00 TBXA2R (0.60) TBXA2RTBXAS1ALDH1A1POLBNPSR1
SCHEMBL9765248 1.00 TBXA2R (0.60) TBXA2RTBXAS1ALDH1A1POLBNPSR1
SCHEMBL9765267 0.90 ADAMTS4 (0.55) TBXA2RTBXAS1ALDH1A1POLBNPSR1
SCHEMBL9510498 0.89 ADRB2 (0.52) TBXA2RTBXAS1ALDH1A1POLBNPSR1
SCHEMBL9765259 0.87 GAA (0.53) ALDH1A1POLBNPSR1ADRB2ADRB1
SCHEMBL9765270 0.86 KMT2A (0.54) TBXA2RTBXAS1ALDH1A1POLBNPSR1
SCHEMBL9765314 0.85 TBXA2R (0.58) TBXA2RTBXAS1ALDH1A1POLB
SCHEMBL7294664 0.85 ITGB3 (0.51) TBXA2RTBXAS1ALDH1A1POLBNPSR1
SCHEMBL27463608 0.85 MMP2 (0.62) TBXA2RTBXAS1ALDH1A1ADAMTS4MMP13
Hydrochloric Acid SCHEMBL9261313 0.84 ITGB3 (0.52) TBXA2RTBXAS1ALDH1A1POLBNPSR1

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