SCHEMBL8036098

SCHEMBL8036098

COC(=O)c1cccc(NC(=O)NCC(=O)N(CCC2CCCC2)c2ccccc2OCC(=O)N(C)c2cccc(Cl)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CASR P41180 2/20 0.44
EPHX1 P07099 1/20 0.40
EPHX2 P34913 1/20 0.40
BDKRB2 P30411 9/20 0.39
ALDH1A1 P00352 1/20 0.38
RAB9A P51151 4/20 0.38
MAPT P10636 3/20 0.38
NPC1 O15118 3/20 0.38
ATM Q13315 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
POLB P06746 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL8020768 0.99 CASR (0.45) CASREPHX1EPHX2BDKRB2ALDH1A1
SCHEMBL8031837 0.94 EPHX1 (0.40) CASREPHX1EPHX2BDKRB2ALDH1A1
SCHEMBL8033869 0.94 BDKRB2 (0.42) CASREPHX1EPHX2BDKRB2ALDH1A1
SCHEMBL8029962 0.94 CASR (0.48) CASREPHX2BDKRB2ALDH1A1RAB9A
SCHEMBL8020624 0.93 BDKRB2 (0.42) CASREPHX1EPHX2BDKRB2ALDH1A1
SCHEMBL8020609 0.93 EPHX1 (0.42) CASREPHX1EPHX2BDKRB2ALDH1A1
SCHEMBL8030264 0.93 CASR (0.49) CASREPHX1EPHX2BDKRB2ALDH1A1
SCHEMBL8020853 0.90 CASR (0.45) CASREPHX2BDKRB2ALDH1A1RAB9A
SCHEMBL8020713 0.90 CASR (0.44) CASREPHX2BDKRB2ALDH1A1RAB9A
SCHEMBL8030643 0.90 CASR (0.46) CASREPHX2BDKRB2ALDH1A1RAB9A

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