SCHEMBL9254524

SCHEMBL9254524

COP(C)(=O)OCC(=O)c1ccccc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
PTPN1 P18031 1/20 0.44
ERCC5 P28715 1/20 0.44
FEN1 P39748 1/20 0.44
GAA P10253 2/20 0.44
NPC1 O15118 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 4/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALOX15 P16050 1/20 0.40
CTNNB1 P35222 2/20 0.39
WNT3A P56704 2/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL27755247 0.86 PTPN1 (0.47) CASP3SENP7SENP6PTPN1ERCC5
SCHEMBL9254114 0.83 THRB (0.40) NPC1CES2CES1KMT2AMEN1
SCHEMBL9257102 0.82 ERCC5 (0.44) ERCC5FEN1NPC1SMN1; SMN2CES2
SCHEMBL31607663 0.79 PTPN1 (0.53) CASP3SENP7SENP6PTPN1ERCC5
SCHEMBL13036685 0.79 PTPN1 (0.53) CASP3SENP7SENP6PTPN1ERCC5
SCHEMBL10878397 0.78 POLB (0.57) PTPN1NPC1SMN1; SMN2CES1ALDH1A1
SCHEMBL2327743 0.76 PTPN1 (0.47) CASP3SENP7SENP6PTPN1ERCC5
SCHEMBL9250126 0.75 NPC1 (0.44) CASP3SENP7SENP6PTPN1NPC1
SCHEMBL9258798 0.75 CES2 (0.43) SMN1; SMN2CES2CES1ALDH1A1KMT2A
SCHEMBL1693561 0.74 GAA (0.43) GAANPC1SMN1; SMN2ALDH1A1KMT2A

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
US-5401768-A Prostaglandin derivative, antiulcer, hypotensive, anticoagulant TORAY INDUSTRIES, INC. (JP) 1995-03-28 US disclosed
EP-0365678-B1 2,5,6,7-TETRANOR-4,8-INTER-m-PHENYLENE PGI 2 DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND USE THEREOF TORAY INDUSTRIES (JP) 1994-01-05 EP disclosed
EP-0365678-A1 2,5,6,7-TETRANOR-4,8-INTER-m-PHENYLENE PGI 2 DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND USE THEREOF TORAY INDUSTRIES, INC. (JP) 1990-05-02 EP disclosed