SCHEMBL20198461

SCHEMBL20198461

CCC(C)Cc1cccc(-c2ccc3ccccc3n2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.45
RAB9A P51151 6/20 0.45
KDM4E B2RXH2 5/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
ALDH1A1 P00352 4/20 0.45
GPBAR1 Q8TDU6 2/20 0.43
AR P10275 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
CNR1 P21554 1/20 0.42
NFKB1 P19838 2/20 0.41
NFKB2 Q00653 2/20 0.41
RELA Q04206 2/20 0.41
TLR8 Q9NR97 1/20 0.41
CYSLTR1 Q9Y271 4/20 0.41
CYSLTR2 Q9NS75 3/20 0.41
MEN1 O00255 2/20 0.41

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
SCHEMBL4445412 0.87 NPC1 (0.48) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL4439987 0.80 CTSS (0.50) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL19051436 0.77 GPBAR1 (0.52) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL29746237 0.77 GPBAR1 (0.52) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL4445443 0.76 NPC1 (0.47) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL17449881 0.75 RAB9A (0.62) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL5254704 0.74 NPC1 (0.46) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL27596227 0.74 NPC1 (0.46) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL3405046 0.71 NPC1 (0.55) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL31038141 0.71 NPC1 (0.55) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1

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-3719099-A1 PHOSPHORESCENT MATERIALS Universal Display Corporation (US) 2020-10-07 EP disclosed
EP-3327100-A2 PHOSPHORESCENT MATERIALS Universal Display Corporation (US) 2018-05-30 EP disclosed