SCHEMBL10000271

SCHEMBL10000271

CCCCCCOc1ccc(-c2cnc(-c3ccc(C)cc3)nc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.61
RAB9A P51151 5/20 0.61
KDM4E B2RXH2 4/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
HSD17B10 Q99714 2/20 0.61
RARB P10826 3/20 0.55
MAPT P10636 1/20 0.55
CYP3A4 P08684 3/20 0.51
CYP2D6 P10635 3/20 0.51
CYP2C9 P11712 4/20 0.50
CYP2C19 P33261 4/20 0.50
ALDH1A1 P00352 3/20 0.50
HPGD P15428 2/20 0.49
HTT P42858 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CYP19A1 P11511 3/20 0.49
NR5A1 Q13285 1/20 0.49
TP53 P04637 1/20 0.48
TSHR P16473 1/20 0.48
PLA2G4B P0C869 1/20 0.47

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
SCHEMBL9184595 0.94 NPC1 (0.69) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL9330768 0.94 NPC1 (0.69) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL19387236 0.89 NPC1 (0.67) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL14062433 0.89 RAB9A (0.58) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL13310847 0.89 NPC1 (0.67) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL13123860 0.89 RAB9A (0.58) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL10000268 0.89 NPC1 (0.67) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL7507657 0.88 NPC1 (0.61) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL7503413 0.88 NPC1 (0.61) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL7501337 0.88 NPC1 (0.61) NPC1RAB9AKDM4ESMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158020-B2 Liquid crystal element, optical path deflecting element, and image displaying apparatus RICOH COMPANY, LTD. (JP) 2012-04-17 US disclosed