SCHEMBL7181849

SCHEMBL7181849

Cc1ccc2oc(-c3ccc(/C=C/c4ccccc4-c4nc5ccccc5o4)cc3)nc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 11/20 0.57
RAB9A P51151 11/20 0.57
KDM4E B2RXH2 10/20 0.57
HPGD P15428 9/20 0.57
SMN1; SMN2 Q16637 8/20 0.57
CASP3 P42574 3/20 0.57
SENP7 Q9BQF6 3/20 0.57
SENP6 Q9GZR1 3/20 0.57
SENP8 Q96LD8 2/20 0.57
POLB P06746 1/20 0.57
ALDH1A1 P00352 10/20 0.56
HSD17B10 Q99714 6/20 0.56
TP53 P04637 4/20 0.56
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
MMP13 P45452 1/20 0.47
NFKB1 P19838 6/20 0.46
NFKB2 Q00653 6/20 0.46
RELA Q04206 6/20 0.46

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
SCHEMBL7181861 1.00 NPC1 (0.57) NPC1RAB9AKDM4EHPGDSMN1; SMN2
SCHEMBL29435921 0.91 RAB9A (0.69) NPC1RAB9AKDM4EHPGDSMN1; SMN2
SCHEMBL413260 0.91 RAB9A (0.69) NPC1RAB9AKDM4EHPGDSMN1; SMN2
SCHEMBL413259 0.91 RAB9A (0.69) NPC1RAB9AKDM4EHPGDSMN1; SMN2
SCHEMBL1857965 0.88 RAB9A (0.58) NPC1RAB9AKDM4EHPGDSMN1; SMN2
SCHEMBL2770602 0.88 RAB9A (0.58) NPC1RAB9AKDM4EHPGDSMN1; SMN2
SCHEMBL447887 0.87 KDM4E (0.61) NPC1RAB9AKDM4EHPGDSMN1; SMN2
SCHEMBL12304257 0.86 NPC1 (0.62) NPC1RAB9AKDM4EHPGDSMN1; SMN2
SCHEMBL28820725 0.85 NPC1 (0.61) NPC1RAB9AKDM4EHPGDSMN1; SMN2
SCHEMBL15681800 0.84 SMN1; SMN2 (0.70) NPC1RAB9AKDM4EHPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1325067-A1 MULTI-COMPONENT OPTICALLY BRIGHTENED POLYOLEFIN BLEND EASTMAN CHEMICAL COMPANY (US) 2003-07-09 EP claimed
WO-2002031035-A1 MULTI-COMPONENT OPTICALLY BRIGHTENED POLYOLEFIN BLEND EASTMAN CHEMICAL COMPANY (US) 2002-04-18 WO claimed