SCHEMBL20040487

SCHEMBL20040487

CC1=C/COc2ccc(-c3ccc(C)cc3)cc2\C(C)=C\1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.38
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PGR P06401 1/20 0.32
CYP19A1 P11511 2/20 0.32
BACE1 P56817 1/20 0.30

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
SCHEMBL8404598 0.74 ADRA2A (0.51) ADRA2AKDM4EALDH1A1MAPTRAB9A
SCHEMBL30636720 0.74 ADRA2A (0.51) ADRA2AKDM4EALDH1A1MAPTRAB9A
SCHEMBL17361522 0.67 CD274 (0.35) ADRA2ACA12CA9KDM4ENPC1
SCHEMBL14552635 0.67 MAOB (0.49) CA12CA9KDM4ENPC1RAB9A
SCHEMBL12257033 0.65 ALOX5 (0.58) KDM4ENPC1ALDH1A1MAPTRAB9A
SCHEMBL8988345 0.65 MAPT (0.67) CA12CA9KDM4ENPC1ALDH1A1
SCHEMBL23005350 0.65 CYP3A4 (0.42) ADRA2AKDM4EALDH1A1MAPTRAB9A
SCHEMBL30545231 0.65 FABP6 (0.42) ADRA2AKDM4EALDH1A1MAPTPGR
SCHEMBL26835590 0.65 ADRA2A (0.52) ADRA2ANPC1MAPTRAB9ACYP19A1
SCHEMBL5209759 0.65 MAOB (0.41) CA12CA9KDM4ENPC1ALDH1A1

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-3053918-B1 2-carbazole substituted benzimidazoles for electronic applications IDEMITSU KOSAN CO (JP) 2018-04-11 EP disclosed