SCHEMBL25527404

SCHEMBL25527404

O=C(O)CC(OC(=O)CS)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 1/20 0.43
GABBR1 Q9UBS5 1/20 0.43
CYP2C19 P33261 2/20 0.40
FFAR1 O14842 5/20 0.38
GSR P00390 1/20 0.37
ACE P12821 1/20 0.36
MAPT P10636 1/20 0.36
CPA1 P15085 1/20 0.36

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
SCHEMBL25527307 0.87 ACE (0.51) GABBR2GABBR1CYP2C19FFAR1GSR
SCHEMBL25527452 0.84 PTPN7 (0.41) MAPT
SCHEMBL25527444 0.80 ALOX5 (0.37) MAPT
SCHEMBL9554855 0.79 MAPT (0.43) GABBR2GABBR1CYP2C19FFAR1MAPT
SCHEMBL28580701 0.79 PABPC1 (0.54) GABBR2GABBR1CYP2C19FFAR1MAPT
SCHEMBL10996526 0.78 CRHBP (0.53) ACE
SCHEMBL25527438 0.78 MIF (0.47) CYP2C19FFAR1MAPT
SCHEMBL8771299 0.76 CYP1A2 (0.50) MAPT
SCHEMBL25527441 0.76 CES2 (0.36) CYP2C19FFAR1MAPT
SCHEMBL25946900 0.76 GABBR2 (0.43) GABBR2GABBR1CYP2C19FFAR1GSR

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
US-20230152696-A1 POSITIVE RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-05-18 US disclosed