SCHEMBL8030224

SCHEMBL8030224

COC(=O)c1cccc(NC(=O)NCC(=O)N(CCC2CCCCC2)c2ccccc2OCC(=O)N(C)c2cc(F)cc(F)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CASR P41180 2/20 0.45
EPHX2 P34913 1/20 0.40
ALDH1A1 P00352 2/20 0.37
CCR3 P51677 4/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
MAPT P10636 2/20 0.36
RAB9A P51151 1/20 0.36
BDKRB2 P30411 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CYP2D6 P10635 1/20 0.35
HTR2A P28223 1/20 0.35
CXCR3 P49682 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PPIA P62937 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL8020713 0.99 CASR (0.44) CASREPHX2ALDH1A1CCR3MEN1
SCHEMBL8030420 0.94 BDKRB2 (0.39) CASREPHX2ALDH1A1CCR3MEN1
SCHEMBL8031876 0.94 EPHX2 (0.40) CASREPHX2ALDH1A1CCR3MEN1
SCHEMBL8020615 0.93 EPHX2 (0.41) CASREPHX2ALDH1A1CCR3MEN1
SCHEMBL8029973 0.93 BDKRB2 (0.40) CASREPHX2ALDH1A1CCR3MEN1
SCHEMBL8030264 0.93 CASR (0.49) CASREPHX2ALDH1A1MEN1KMT2A
SCHEMBL8030643 0.92 CASR (0.46) CASREPHX2ALDH1A1MEN1KMT2A
SCHEMBL8029962 0.92 CASR (0.48) CASREPHX2ALDH1A1MEN1KMT2A
SCHEMBL8020853 0.92 CASR (0.45) CASREPHX2ALDH1A1MEN1KMT2A
SCHEMBL8030371 0.91 CASR (0.48) CASREPHX2ALDH1A1CCR3MEN1

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