SCHEMBL20428495

SCHEMBL20428495

COc1ccc(COc2ccc(-c3ccc(-c4nc(CO)c[nH]4)cn3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
DGAT1 O75907 2/20 0.42
CBFB Q13951 1/20 0.42
PTGER4 P35408 1/20 0.41
APP P05067 5/20 0.41
CYP11B1 P15538 1/20 0.41
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAOB P27338 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NOD2 Q9HC29 1/20 0.40
CYP4F2 P78329 1/20 0.40

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
SCHEMBL16660870 0.88 CASP3 (0.45) CASP3SENP8SENP7SENP6RXFP1
SCHEMBL10556612 0.80 KDM4E (0.46) NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL7160091 0.78 PRMT5 (0.51) MAOB
SCHEMBL13151414 0.75 CASP3 (0.57) CASP3SENP8SENP7SENP6RXFP1
SCHEMBL8019903 0.74 CASP3 (0.64) CASP3SENP8SENP7SENP6RXFP1
SCHEMBL9936494 0.72 DGAT1 (0.69) CASP3SENP8SENP7SENP6DGAT1
SCHEMBL20169341 0.72 DGAT1 (0.55) CASP3SENP8SENP7SENP6DGAT1
SCHEMBL8007163 0.72 CASP3 (0.56) CASP3SENP8SENP7SENP6RXFP1
SCHEMBL18552826 0.71 KDM4E (0.48) CASP3SENP8SENP7SENP6RXFP1
SCHEMBL10558967 0.71 PRMT5 (0.50) POLB

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-2862856-B1 IMIDAZOLE AND TRIAZOLE COMPOUNDS AS DGAT-1 INHIBITORS MITSUBISHI TANABE PHARMA CORP (JP) 2018-08-01 EP disclosed