SCHEMBL9754258

SCHEMBL9754258

CCCCCCC(F)COc1ccc(-c2cnc(-c3ccc(OCCCC)cc3)nc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.53
KDM4E B2RXH2 6/20 0.53
NPC1 O15118 5/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
HSD17B10 Q99714 2/20 0.53
MAPT P10636 3/20 0.48
RARB P10826 3/20 0.45
CYP2D6 P10635 6/20 0.44
CYP3A4 P08684 4/20 0.44
CYP2C9 P11712 5/20 0.43
CYP2C19 P33261 5/20 0.43
CYP19A1 P11511 4/20 0.43
SLC2A1 P11166 1/20 0.42
ALDH1A1 P00352 5/20 0.42
PLA2G4B P0C869 1/20 0.41
HPGD P15428 4/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
HTT P42858 1/20 0.41
CYP1A2 P05177 1/20 0.40
MEN1 O00255 1/20 0.39

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
SCHEMBL10469832 1.00 RAB9A (0.53) RAB9AKDM4ENPC1SMN1; SMN2HSD17B10
SCHEMBL10469762 1.00 RAB9A (0.53) RAB9AKDM4ENPC1SMN1; SMN2HSD17B10
SCHEMBL10470518 1.00 RAB9A (0.53) RAB9AKDM4ENPC1SMN1; SMN2HSD17B10
SCHEMBL10470188 1.00 RAB9A (0.53) RAB9AKDM4ENPC1SMN1; SMN2HSD17B10
SCHEMBL10470566 1.00 RAB9A (0.53) RAB9AKDM4ENPC1SMN1; SMN2HSD17B10
SCHEMBL10470615 1.00 RAB9A (0.53) RAB9AKDM4ENPC1SMN1; SMN2HSD17B10
SCHEMBL10468919 0.99 NPC1 (0.52) RAB9AKDM4ENPC1SMN1; SMN2HSD17B10
SCHEMBL10469829 0.99 NPC1 (0.52) RAB9AKDM4ENPC1SMN1; SMN2HSD17B10
SCHEMBL10468952 0.99 NPC1 (0.52) RAB9AKDM4ENPC1SMN1; SMN2HSD17B10
SCHEMBL10469824 0.99 NPC1 (0.52) RAB9AKDM4ENPC1SMN1; SMN2HSD17B10

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3181467-A None JP disclosed
JP-H03181467-A NOVEL ETHER COMPOUND AND LIQUID CRYSTALLINE COMPOSITION CONTAINING THEREOF NIPPON MINING CO LTD 1991-08-07 JP disclosed
US-4963288-A Fluoroalkoxydiphenyl pyrimidine, liquid crystal composition and electro-optic element CHISSO CORPORATION (JP) 1990-10-16 US disclosed