SCHEMBL8020853

SCHEMBL8020853

COC(=O)c1cccc(NC(=O)NCC(=O)N(CCC2CCCC2)c2ccccc2OCC(=O)N(C)c2cc(C)cc(C)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CASR P41180 2/20 0.45
BDKRB2 P30411 9/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 2/20 0.37
MAPT P10636 2/20 0.37
KMT2A Q03164 2/20 0.37
EPHX2 P34913 1/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
PPIA P62937 1/20 0.36
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
SCHEMBL8030643 0.99 CASR (0.46) CASRBDKRB2ALDH1A1MEN1MAPT
SCHEMBL8030003 0.94 BDKRB2 (0.42) CASRBDKRB2ALDH1A1MEN1MAPT
SCHEMBL8033892 0.94 CASR (0.39) CASRBDKRB2ALDH1A1MEN1MAPT
SCHEMBL8029962 0.94 CASR (0.48) CASRBDKRB2ALDH1A1MEN1MAPT
SCHEMBL8036239 0.93 CASR (0.40) CASRBDKRB2ALDH1A1MEN1MAPT
SCHEMBL8020547 0.93 BDKRB2 (0.41) CASRBDKRB2ALDH1A1MEN1MAPT
SCHEMBL8030264 0.93 CASR (0.49) CASRBDKRB2ALDH1A1MEN1MAPT
SCHEMBL8020713 0.92 CASR (0.44) CASRBDKRB2ALDH1A1MEN1MAPT
SCHEMBL8030224 0.92 CASR (0.45) CASRBDKRB2ALDH1A1MEN1MAPT
SCHEMBL8036098 0.90 CASR (0.44) CASRBDKRB2ALDH1A1MEN1MAPT

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