SCHEMBL9765317

SCHEMBL9765317

COC(=O)COc1ccc(CC(C)(C)NS(=O)(=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.52
ALDH1A1 P00352 4/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.50
LMNA P02545 1/20 0.50
GLA P06280 1/20 0.48
POLB P06746 2/20 0.47
EGFR P00533 1/20 0.47
ERBB2 P04626 1/20 0.47
TSHR P16473 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAPK1 P28482 1/20 0.47
SGMS1 Q86VZ5 1/20 0.44
TDP1 Q9NUW8 2/20 0.44
KDM4E B2RXH2 2/20 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
SCHEMBL9765252 0.90 TBXA2R (0.48) ALDH1A1SMN1; SMN2EGFRERBB2TSHR
SCHEMBL9765279 0.79 TSHR (0.55) ALDH1A1SMN1; SMN2EGFRERBB2TSHR
SCHEMBL9512059 0.77 GLA (0.53) PTGS2ALDH1A1CYP2C9CYP2C19SMN1; SMN2
SCHEMBL5120243 0.77 PTGS2 (0.81) PTGS2ALDH1A1CYP2C9CYP2C19SMN1; SMN2
SCHEMBL23605967 0.75 PTGS2 (0.68) PTGS2ALDH1A1L3MBTL1TDP1
SCHEMBL14488433 0.74 PTGS2 (0.51) PTGS2ALDH1A1CYP2C9CYP2C19SMN1; SMN2
SCHEMBL9301142 0.73 SGMS1 (0.62) ALDH1A1CYP2C9CYP2C19SMN1; SMN2TSHR
SCHEMBL8231621 0.73 ALDH1A1 (0.69) PTGS2ALDH1A1CYP2C9CYP2C19SMN1; SMN2
SCHEMBL11872199 0.73 PTGS2 (0.74) PTGS2ALDH1A1CYP2C9CYP2C19SMN1; SMN2
SCHEMBL4504044 0.72 ALDH1A1 (0.62) PTGS2ALDH1A1CYP2C9CYP2C19SMN1; 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 1 patent. 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