SCHEMBL8030643

SCHEMBL8030643

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

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CASR P41180 2/20 0.46
ALDH1A1 P00352 2/20 0.39
BDKRB2 P30411 8/20 0.38
EPHX2 P34913 1/20 0.37
MEN1 O00255 2/20 0.37
MAPT P10636 2/20 0.37
KMT2A Q03164 2/20 0.37
RAB9A P51151 1/20 0.37
CXCR3 P49682 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PPIA P62937 1/20 0.35
GPR17 Q13304 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
SMN1; SMN2 Q16637 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
SCHEMBL8020853 0.99 CASR (0.45) CASRALDH1A1BDKRB2EPHX2MEN1
SCHEMBL8020547 0.94 BDKRB2 (0.41) CASRALDH1A1BDKRB2EPHX2MEN1
SCHEMBL8036239 0.94 CASR (0.40) CASRALDH1A1BDKRB2EPHX2MEN1
SCHEMBL8030264 0.94 CASR (0.49) CASRALDH1A1BDKRB2EPHX2MEN1
SCHEMBL8030003 0.93 BDKRB2 (0.42) CASRALDH1A1BDKRB2EPHX2MEN1
SCHEMBL8033892 0.93 CASR (0.39) CASRALDH1A1BDKRB2EPHX2MEN1
SCHEMBL8029962 0.93 CASR (0.48) CASRALDH1A1BDKRB2EPHX2MEN1
SCHEMBL8030224 0.92 CASR (0.45) CASRALDH1A1BDKRB2EPHX2MEN1
SCHEMBL8020713 0.92 CASR (0.44) CASRALDH1A1BDKRB2EPHX2MEN1
SCHEMBL8020768 0.90 CASR (0.45) 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