SCHEMBL9634402

SCHEMBL9634402

CCCCCCC(O)COc1ccc(-c2ncncn2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G4B P0C869 2/20 0.49
S1PR1 P21453 1/20 0.47
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
KDM4E B2RXH2 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HSD17B10 Q99714 1/20 0.43
CYP2D6 P10635 2/20 0.42
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
RARB P10826 3/20 0.41
CYP3A4 P08684 1/20 0.40
MAPT P10636 3/20 0.39
HTT P42858 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
CYP19A1 P11511 1/20 0.38

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
SCHEMBL5080243 0.88 PLA2G4B (0.52) PLA2G4BS1PR1NPC1RAB9AKDM4E
SCHEMBL31365390 0.86 S1PR1 (0.56) PLA2G4BS1PR1NPC1RAB9AKDM4E
SCHEMBL9344195 0.84 RARB (0.56) PLA2G4BS1PR1NPC1RAB9AKDM4E
SCHEMBL9348830 0.84 RARB (0.56) PLA2G4BS1PR1NPC1RAB9AKDM4E
SCHEMBL28160274 0.83 MAPT (0.45) PLA2G4BS1PR1NPC1RAB9AKDM4E
SCHEMBL27865495 0.83 MAPT (0.47) PLA2G4BCYP2D6MAPK1CYP3A4MAPT
SCHEMBL3383093 0.83 PLA2G4B (0.48) PLA2G4BS1PR1NPC1RAB9AKDM4E
SCHEMBL5975726 0.83 PLA2G4B (0.48) PLA2G4BS1PR1KDM4ESMN1; SMN2MAPK1
SCHEMBL17110450 0.83 PLA2G4B (0.51) PLA2G4BS1PR1NPC1RAB9AKDM4E
SCHEMBL14142260 0.83 PLA2G4B (0.51) PLA2G4BS1PR1NPC1RAB9AKDM4E

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
US-5171328-A Polypiperidinyl derivatives; light, oxygen and heat resistance BASF AKTIENGESELLSCHAFT (DE) 1992-12-15 US disclosed