SCHEMBL3628798

SCHEMBL3628798

C=Cc1cccc2cc3c(OCC)cccc3cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
CASP3 P42574 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
BACE1 P56817 1/20 0.36
HSD17B10 Q99714 1/20 0.36
AGTR1 P30556 1/20 0.36
ATM Q13315 1/20 0.36
TLR8 Q9NR97 1/20 0.36
TSHR P16473 1/20 0.35
CA12 O43570 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
SCHEMBL3627101 0.97 MEN1 (0.36) CYP2A6MEN1KMT2ANPC1RAB9A
SCHEMBL29919659 0.85 CYP2A6 (0.47) CYP2A6ALDH1A1MAPTTLR8TSHR
SCHEMBL29102436 0.85 CYP2A6 (0.47) CYP2A6ALDH1A1MAPTTLR8TSHR
SCHEMBL3619469 0.83 ALDH1A1 (0.47) CYP2A6MEN1KMT2ANPC1RAB9A
SCHEMBL3623450 0.82 NQO1 (0.48) MEN1KMT2ARAB9AKDM4EALDH1A1
SCHEMBL2314941 0.80 ALDH1A1 (0.47) CYP2A6NPC1RAB9AALDH1A1MAPT
SCHEMBL29862266 0.79 CYP2A6 (0.46) CYP2A6ALDH1A1MAPTTLR8TSHR
SCHEMBL3628368 0.79 NQO1 (0.46) MEN1KMT2ARAB9AKDM4EALDH1A1
SCHEMBL25975841 0.78 ALOX5 (0.39) CYP2A6ALDH1A1TSHRHTR1B
SCHEMBL1240363 0.76 ALDH1A1 (0.42) MEN1KMT2ANPC1RAB9ACASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2506357-B1 Separation membrane for direct liquid fuel cell and method for producing same TOKUYAMA CORP (JP) 2015-06-17 EP disclosed
EP-2506357-A1 Separation membrane for direct liquid fuel cell and method for producing same Tokuyama Corporation (JP) 2012-10-03 EP disclosed
US-8232325-B2 Separation membrane for direct liquid fuel cell and method for producing same TOKUYAMA CORPORATION (JP) 2012-07-31 US disclosed
US-20100003574-A1 Separation Membrane for Direct Liquid Fuel Cell and Method for Producing Same TOKUYAMA CORPORATION (JP) 2010-01-07 US disclosed
EP-1990854-A1 SEPARATION MEMBRANE FOR DIRECT LIQUID FUEL CELL AND METHOD FOR PRODUCING SAME Tokuyama Corporation (JP) 2008-11-12 EP disclosed