SCHEMBL8036239

SCHEMBL8036239

COC(=O)c1cccc(NC(=O)NCC(=O)N(CC2CCCCC2)c2ccccc2OCC(=O)N(C)c2cc(C)cc(C)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CASR P41180 2/20 0.40
ALDH1A1 P00352 1/20 0.40
BDKRB2 P30411 9/20 0.38
EPHX2 P34913 1/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
CXCR3 P49682 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PPIA P62937 1/20 0.36
GPR17 Q13304 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
SCHEMBL8033892 0.99 CASR (0.39) CASRALDH1A1BDKRB2EPHX2MEN1
SCHEMBL8030643 0.94 CASR (0.46) CASRALDH1A1BDKRB2EPHX2MEN1
SCHEMBL8034123 0.94 BDKRB2 (0.42) CASRALDH1A1BDKRB2EPHX2RAB9A
SCHEMBL8020853 0.93 CASR (0.45) CASRALDH1A1BDKRB2EPHX2MEN1
SCHEMBL8030290 0.93 BDKRB2 (0.42) CASRBDKRB2EPHX2RAB9A
SCHEMBL8031876 0.92 EPHX2 (0.40) CASRALDH1A1BDKRB2EPHX2MEN1
SCHEMBL8020615 0.91 EPHX2 (0.41) CASRALDH1A1BDKRB2EPHX2MEN1
SCHEMBL8036324 0.91 CCKBR (0.36) ALDH1A1BDKRB2EPHX2MEN1KMT2A
SCHEMBL8020609 0.90 EPHX1 (0.42) CASRALDH1A1BDKRB2EPHX2MEN1
SCHEMBL8031837 0.89 EPHX1 (0.40) CASRALDH1A1BDKRB2EPHX2MEN1

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