SCHEMBL21511005

SCHEMBL21511005

BC1CCC(c2ccc(C#Cc3ccccc3)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.44
FFAR1 O14842 2/20 0.44
MAPT P10636 2/20 0.41
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
CASP3 P42574 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SLC18A3 Q16572 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
GRM5 P41594 3/20 0.36
EGLN1 Q9GZT9 1/20 0.35
EGLN3 Q9H6Z9 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35

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
SCHEMBL3714277 0.90 APP (0.55) APPFFAR1MAPTNPC1RAB9A
SCHEMBL21008661 0.85 ESR2 (0.33) FFAR1EGLN1EGLN3
SCHEMBL3836703 0.82 APP (0.50) APPFFAR1MAPTNPC1RAB9A
SCHEMBL18411594 0.82 SLC18A3 (0.54) MAPTNPC1RAB9AKDM4EKMT2A
SCHEMBL10091187 0.81 ESR2 (0.53) APPFFAR1MAPTNPC1RAB9A
SCHEMBL10476961 0.81 APP (0.48) APPFFAR1MAPTNPC1RAB9A
SCHEMBL21556845 0.79 ESR2 (0.46) NPC1RAB9ASLC18A3SIGMAR1
SCHEMBL20811532 0.79 APP (0.35) APPFFAR1MAPTNPC1RAB9A
SCHEMBL21338798 0.79 NPC1 (0.59) NPC1RAB9ASLC18A3SIGMAR1
SCHEMBL20169911 0.79 NPC1 (0.59) NPC1RAB9ASLC18A3SIGMAR1

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
EP-3140369-B1 LIQUID-CRYSTALLINE MEDIUM AND HIGH-FREQUENCY COMPONENTS COMPRISING SAME MERCK PATENT GMBH (DE) 2019-10-23 EP disclosed