SCHEMBL9765323

SCHEMBL9765323

CCCC(NS(=O)(=O)c1ccccc1)c1ccc(OCC(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 1/20 0.52
TBXAS1 P24557 1/20 0.52
ALDH1A1 P00352 7/20 0.51
TSHR P16473 1/20 0.51
ATM Q13315 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
POLB P06746 2/20 0.46
EEF2K O00418 1/20 0.46
HTT P42858 1/20 0.45
AOC3 Q16853 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.44
MMP3 P08254 1/20 0.44
MMP13 P45452 1/20 0.44
ALOX15 P16050 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 1/20 0.44
PTPN7 P35236 1/20 0.44
PTPN12 Q05209 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
SCHEMBL9765258 0.90 ALDH1A1 (0.57) TBXA2RTBXAS1ALDH1A1TSHRATM
SCHEMBL9472791 0.83 ALDH1A1 (0.63) TBXA2RTBXAS1ALDH1A1TSHRPOLB
SCHEMBL9765296 0.81 SMN1; SMN2 (0.57) ALDH1A1TSHRATML3MBTL1SMN1; SMN2
SCHEMBL9765314 0.76 TBXA2R (0.58) TBXA2RTBXAS1ALDH1A1TSHRPOLB
SCHEMBL9765251 0.76 TBXA2R (0.60) TBXA2RTBXAS1ALDH1A1SMN1; SMN2POLB
SCHEMBL9765248 0.76 TBXA2R (0.60) TBXA2RTBXAS1ALDH1A1SMN1; SMN2POLB
SCHEMBL9765276 0.76 TBXA2R (0.60) TBXA2RTBXAS1ALDH1A1SMN1; SMN2POLB
SCHEMBL9512068 0.75 TBXA2R (0.63) TBXA2RTBXAS1ALDH1A1TSHRMMP13
SCHEMBL9510545 0.75 ALDH1A1 (0.51) TBXA2RTBXAS1ALDH1A1ATML3MBTL1
SCHEMBL4650288 0.75 ALDH1A1 (0.54) TBXA2RTBXAS1ALDH1A1TSHRATM

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