SCHEMBL8033760

SCHEMBL8033760

COC(=O)c1cccc(NC(=O)NCC(=O)N(CC2CCCCC2)c2ccccc2OCC(=O)N(C)c2c(F)cccc2F)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CASR P41180 2/20 0.41
EPHX2 P34913 1/20 0.39
ALDH1A1 P00352 1/20 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 4/20 0.37
CCR3 P51677 3/20 0.36
CXCR3 P49682 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PPIA P62937 1/20 0.36
ROCK2 O75116 1/20 0.35
LIMK1 P53667 1/20 0.35
LIMK2 P53671 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP2D6 P10635 1/20 0.35
HTR2A P28223 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
SCHEMBL8033962 0.99 CASR (0.40) CASREPHX2ALDH1A1MEN1KMT2A
SCHEMBL8030371 0.94 CASR (0.48) CASREPHX2ALDH1A1MEN1KMT2A
SCHEMBL8030154 0.94 BDKRB2 (0.40) CASREPHX2RAB9ABDKRB2SMN1; SMN2
SCHEMBL8034107 0.93 CASR (0.46) CASREPHX2ALDH1A1MEN1KMT2A
SCHEMBL8031913 0.93 BDKRB2 (0.41) CASREPHX2RAB9ABDKRB2PPIA
SCHEMBL8031876 0.91 EPHX2 (0.40) CASREPHX2ALDH1A1MEN1KMT2A
SCHEMBL8020615 0.90 EPHX2 (0.41) CASREPHX2ALDH1A1MEN1KMT2A
SCHEMBL8031951 0.89 HTR2A (0.34) EPHX2ALDH1A1MEN1KMT2AMAPT
SCHEMBL8036239 0.89 CASR (0.40) CASREPHX2ALDH1A1MEN1KMT2A
SCHEMBL8030228 0.88 KMT2A (0.34) EPHX2MEN1KMT2ARAB9ABDKRB2

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