SCHEMBL19632429

SCHEMBL19632429

CCn1c2ccc(C(=O)c3ccccc3C)cc2c2cc(/C(CC3CCCC3)=N\OC(=O)c3ccccc3)ccc21

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.38
FFAR1 O14842 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PTGER4 P35408 7/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 3/20 0.36
POLB P06746 2/20 0.36
CNR2 P34972 1/20 0.36

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
SCHEMBL28881747 0.92 PTGER4 (0.38) NPC1FFAR1ALDH1A1KMT2AKDM4E
SCHEMBL29874784 0.92 PTGER4 (0.38) NPC1FFAR1ALDH1A1KMT2AKDM4E
SCHEMBL19632430 0.92 PTGER4 (0.38) NPC1FFAR1ALDH1A1KMT2AKDM4E
SCHEMBL19632663 0.91 NPC1 (0.39) NPC1FFAR1ALDH1A1KMT2AKDM4E
SCHEMBL21248175 0.91 NPC1 (0.37) NPC1FFAR1ALDH1A1KMT2AKDM4E
SCHEMBL22824351 0.91 NPC1 (0.37) NPC1FFAR1ALDH1A1KMT2AKDM4E
SCHEMBL29379219 0.91 NPC1 (0.37) NPC1FFAR1ALDH1A1KMT2AKDM4E
SCHEMBL28990809 0.89 PTGER4 (0.37) NPC1FFAR1ALDH1A1KMT2AKDM4E
SCHEMBL19632243 0.85 CNR2 (0.39) NPC1ALDH1A1KMT2AKDM4EMEN1
SCHEMBL21253182 0.83 KMT2A (0.38) NPC1FFAR1ALDH1A1KMT2AKDM4E

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
US-20200255736-A1 POLYMERISABLE LIQUID CRYSTAL MATERIAL AND POLYMERISED LIQUID CRYSTAL FILM MERCK PATENT GMBH (DE) 2020-08-13 US disclosed
EP-3458548-B1 POLYMERISABLE LIQUID CRYSTAL MATERIAL AND POLYMERISED LIQUID CRYSTAL FILM MERCK PATENT GMBH (DE) 2020-01-29 EP disclosed
WO-2017198584-A1 POLYMERISABLE LIQUID CRYSTAL MATERIAL AND POLYMERISED LIQUID CRYSTAL FILM MERCK PATENT GMBH (DE) 2017-11-23 WO disclosed