SCHEMBL8036207

SCHEMBL8036207

COC(=O)Cc1cccc(NC(=O)NCC(=O)N(CC(=O)N(C)c2ccccc2)c2cccc(OCC(=O)N(C)c3cc(C)cc(C)c3)c2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.38
PPIB P23284 1/20 0.37
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
KMT2A Q03164 6/20 0.36
MEN1 O00255 2/20 0.36
MAPK1 P28482 2/20 0.35
HTT P42858 2/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
RAB9A P51151 1/20 0.35
MLYCD O95822 1/20 0.35
GAA P10253 1/20 0.35
NTSR1 P30989 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NOD2 Q9HC29 1/20 0.34

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
SCHEMBL8033942 0.95 KMT2A (0.40) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL8020806 0.94 POLQ (0.37) GRM5PPIBALDH1A1CYP1A2CYP3A4
SCHEMBL8031868 0.94 PPIB (0.38) GRM5PPIBSMN1; SMN2KMT2AMEN1
SCHEMBL8029983 0.92 SMN1; SMN2 (0.36) PPIBALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL8020589 0.91 SMN1; SMN2 (0.35) PPIBALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL8030634 0.91 KMT2A (0.36) PPIBALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL8020564 0.90 KDM4E (0.37) PPIBALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL8031924 0.90 KMT2A (0.35) PPIBALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL8036317 0.90 MAPK1 (0.45) PPIBSMN1; SMN2KMT2AMEN1MAPK1
SCHEMBL8031875 0.89 MAPK1 (0.40) SMN1; SMN2KMT2AMEN1MAPK1HTT

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