SCHEMBL9765285

SCHEMBL9765285

Cc1cc(CC(C)NS(=O)(=O)c2ccccc2)ccc1OCC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.53
PTPN1 P18031 2/20 0.46
FFAR4 Q5NUL3 2/20 0.46
PTGDR2 Q9Y5Y4 2/20 0.46
ALDH1A1 P00352 4/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
PPARG P37231 2/20 0.44
PPARD Q03181 2/20 0.44
TBXA2R P21731 1/20 0.44
TBXAS1 P24557 1/20 0.44
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
PPARA Q07869 1/20 0.43
CD274 Q9NZQ7 1/20 0.43
APEX1 P27695 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
LMNA P02545 1/20 0.42

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
SCHEMBL9514097 0.88 FFAR1 (0.50) KDM4EPTPN1ALDH1A1CYP1A2CYP2C9
SCHEMBL9765309 0.88 ALDH1A1 (0.50) ALDH1A1CYP1A2CYP2C9CYP2C19TBXA2R
SCHEMBL9765315 0.85 HTT (0.49) ALDH1A1CYP1A2CYP2C9CYP2C19HPGD
SCHEMBL9765251 0.82 TBXA2R (0.60) ALDH1A1CYP1A2CYP2C9CYP2C19TBXA2R
SCHEMBL9765276 0.82 TBXA2R (0.60) ALDH1A1CYP1A2CYP2C9CYP2C19TBXA2R
SCHEMBL9765248 0.82 TBXA2R (0.60) ALDH1A1CYP1A2CYP2C9CYP2C19TBXA2R
SCHEMBL10711216 0.82 FFAR1 (0.47) KDM4EPTGDR2ALDH1A1PPARGPPARD
SCHEMBL14066007 0.79 PTPN1 (0.52) KDM4EPTPN1ALDH1A1SMN1; SMN2LMNA
SCHEMBL9514151 0.79 PTGDR2 (0.49) PTGDR2ALDH1A1SMN1; SMN2NPSR1LMNA
SCHEMBL10704116 0.77 PTGDR2 (0.48) PTPN1PTGDR2PPARGPPARDPPARA

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