SCHEMBL16660870

SCHEMBL16660870

CCOCc1c[nH]c(-c2ccc(-c3ccc(OCc4ccc(OC)cc4)cc3)nc2)n1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
DGAT1 O75907 4/20 0.43
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
CYP11B1 P15538 1/20 0.39
APP P05067 7/20 0.39
MAPK1 P28482 1/20 0.38
MAOB P27338 1/20 0.38
GRM5 P41594 1/20 0.37
PTGER4 P35408 1/20 0.37

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
SCHEMBL20428495 0.88 CASP3 (0.44) CASP3SENP8SENP7SENP6DGAT1
SCHEMBL16660907 0.79 DGAT1 (0.60) DGAT1
SCHEMBL16787743 0.78 DGAT1 (0.72) DGAT1
SCHEMBL16787744 0.73 DGAT1 (0.66) CASP3SENP8SENP7SENP6DGAT1
SCHEMBL16787679 0.72 DGAT1 (0.60) DGAT1
SCHEMBL16787681 0.71 DGAT1 (0.60) DGAT1
SCHEMBL10558967 0.71 PRMT5 (0.50)
SCHEMBL18552826 0.69 KDM4E (0.48) CASP3SENP8SENP7SENP6DGAT1
SCHEMBL9680190 0.67 CASP3 (0.73) CASP3SENP8SENP7SENP6MAPT
SCHEMBL10556612 0.67 KDM4E (0.46) MAPTRAB9A

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-A1 AROMATIC HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2015-04-22 EP disclosed