SCHEMBL9765258

SCHEMBL9765258

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

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.57
TSHR P16473 1/20 0.57
TBXA2R P21731 1/20 0.54
TBXAS1 P24557 1/20 0.54
ATM Q13315 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
POLB P06746 1/20 0.47
EEF2K O00418 1/20 0.47
ALOX15 P16050 1/20 0.46
HTT P42858 1/20 0.46
FAAH O00519 1/20 0.46
AOC3 Q16853 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
PTPN7 P35236 1/20 0.46
KMT2A Q03164 1/20 0.46
PTPN12 Q05209 1/20 0.46

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
SCHEMBL9765323 0.90 TBXA2R (0.52) ALDH1A1TSHRTBXA2RTBXAS1ATM
SCHEMBL9472791 0.85 ALDH1A1 (0.63) ALDH1A1TSHRTBXA2RTBXAS1POLB
SCHEMBL9765306 0.83 KCNA5 (0.55) ALDH1A1ATML3MBTL1POLBHTT
SCHEMBL9765264 0.83 KCNA5 (0.55) ALDH1A1ATML3MBTL1POLBHTT
SCHEMBL15388015 0.82 MAPT (0.58) ALDH1A1ATML3MBTL1EEF2KMEN1
SCHEMBL1287475 0.82 MAPT (0.58) ALDH1A1ATML3MBTL1EEF2KMEN1
SCHEMBL9514108 0.82 FFAR1 (0.50) ALDH1A1ATML3MBTL1POLBEEF2K
SCHEMBL9765292 0.81 CYP1A2 (0.49) ALDH1A1ATML3MBTL1HTTMAPT
SCHEMBL11108374 0.81 ALDH1A1 (0.61) ALDH1A1ATML3MBTL1EEF2KKMT2A
SCHEMBL9765314 0.81 TBXA2R (0.58) ALDH1A1TSHRTBXA2RTBXAS1POLB

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