SCHEMBL9047892

SCHEMBL9047892

O=C(O)C(C(=O)O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.54
CES2 O00748 2/20 0.53
CES1 P23141 2/20 0.53
ACP3 P15309 1/20 0.50
SRD5A2 P31213 1/20 0.48
AKR1C3 P42330 2/20 0.47
AKR1C2 P52895 2/20 0.47
GSK3B P49841 1/20 0.47
PDPK1 O15530 1/20 0.46
CNR2 P34972 1/20 0.46
GRM8 O00222 1/20 0.45
GRM4 Q14833 1/20 0.45
EPHX2 P34913 1/20 0.45
FFAR1 O14842 3/20 0.44
PSEN1 P49768 1/20 0.44
PSEN2 P49810 1/20 0.44
APH1B Q8WW43 1/20 0.44
NCSTN Q92542 1/20 0.44
APH1A Q96BI3 1/20 0.44
PSENEN Q9NZ42 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
SCHEMBL4749899 0.88 CES2 (0.47) SRCCES2CES1ACP3SRD5A2
SCHEMBL7934481 0.84 AKR1C3 (0.47) CES2CES1ACP3AKR1C3AKR1C2
SCHEMBL3130953 0.83 CES2 (0.53) CES2CES1ACP3SRD5A2AKR1C3
SCHEMBL6809652 0.81 MMP8 (0.48) CES2CES1AKR1C3AKR1C2EPHX2
SCHEMBL504285 0.81 CES2 (0.67) CES2CES1ACP3SRD5A2AKR1C3
SCHEMBL504284 0.81 CES2 (0.67) CES2CES1ACP3SRD5A2AKR1C3
SCHEMBL5860711 0.81 CES2 (0.52) CES2CES1ACP3SRD5A2AKR1C3
SCHEMBL4634324 0.81 CES2 (0.67) CES2CES1ACP3SRD5A2AKR1C3
SCHEMBL271988 0.81 SRC (0.78) SRCCES2CES1AKR1C3AKR1C2
SCHEMBL5225725 0.79 GRM8 (0.50) CES2CES1ACP3SRD5A2AKR1C3

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
CN-1335831-A Polymerizable halogenated vinyl ethers ALLIED SIGNAL INC (US) 2002-02-13 CN disclosed
EP-0510526-B1 Use of sulfonamides as drug and new sulfonamides HOFFMANN LA ROCHE (CH) 1996-12-04 EP disclosed
EP-0510526-A1 Use of sulfonamides as drug and new sulfonamides F.HOFFMANN-LA ROCHE & CO. AKTIENGESELLSCHAFT (CH) 1992-10-28 EP disclosed