SCHEMBL8020615

SCHEMBL8020615

COC(=O)c1cccc(NC(=O)NCC(=O)N(CC2CCCC2)c2ccccc2OCC(=O)N(C)c2cc(F)cc(F)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.41
CASR P41180 2/20 0.39
CCR3 P51677 5/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
BDKRB2 P30411 5/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 1/20 0.36
CYP2D6 P10635 1/20 0.36
HTR2A P28223 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PPIA P62937 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
SCHEMBL8031876 0.99 EPHX2 (0.40) EPHX2CASRCCR3MEN1KMT2A
SCHEMBL8020713 0.94 CASR (0.44) EPHX2CASRCCR3MEN1KMT2A
SCHEMBL8030402 0.94 BDKRB2 (0.40) EPHX2CASRCCR3RAB9ABDKRB2
SCHEMBL8030224 0.93 CASR (0.45) EPHX2CASRCCR3MEN1KMT2A
SCHEMBL8030341 0.93 BDKRB2 (0.40) EPHX2CASRCCR3RAB9ABDKRB2
SCHEMBL8033892 0.92 CASR (0.39) EPHX2CASRMEN1KMT2AMAPT
SCHEMBL8036239 0.91 CASR (0.40) EPHX2CASRMEN1KMT2AMAPT
SCHEMBL8033962 0.91 CASR (0.40) EPHX2CASRCCR3MEN1KMT2A
SCHEMBL8033760 0.90 CASR (0.41) EPHX2CASRCCR3MEN1KMT2A
SCHEMBL8031837 0.89 EPHX1 (0.40) EPHX2CASRMEN1KMT2AMAPT

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-0985660-A1 AMINOPHENOL DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2000-03-15 EP disclosed