SCHEMBL15317151

SCHEMBL15317151

COc1cc2cc(C)c(C)cc2cc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
ALDH1A1 P00352 2/20 0.44
NQO2 P16083 4/20 0.44
MAPT P10636 4/20 0.44
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
G6PD P11413 1/20 0.44
PKM P14618 1/20 0.44
RAB9A P51151 1/20 0.44
TAAR1 Q96RJ0 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42

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
SCHEMBL811100 0.92 ALDH1A1 (0.52) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL811025 0.89 ALDH1A1 (0.50) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL8269049 0.82 TAAR1 (0.52) ALDH1A1NQO2MAPTNPC1LMNA
SCHEMBL257726 0.82 NQO1 (0.58) ALDH1A1NQO2MAPTNPC1LMNA
SCHEMBL31523973 0.82 NQO1 (0.58) ALDH1A1NQO2MAPTNPC1LMNA
SCHEMBL2954181 0.82 TAAR1 (0.56) ALDH1A1MAPTPOLBTAAR1ACHE
SCHEMBL21507510 0.82 CYP2A6 (0.54) ALDH1A1NQO2MAPTNPC1LMNA
SCHEMBL17912825 0.82 CYP1A2 (0.54) ALDH1A1MAPTRAB9AKDM4E
SCHEMBL17912844 0.82 CYP1A2 (0.54) ALDH1A1MAPTRAB9AKDM4E
SCHEMBL15317150 0.82 CYP2A6 (0.54) ALDH1A1NQO2MAPTNPC1LMNA

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
US-9142850-B2 Tri-block copolymer and electrolyte membrane made from the same LG CHEM, LTD. (KR) 2015-09-22 US disclosed
US-9048479-B2 Tri-block copolymer and electrolyte membrane made from the same LG CHEM, LTD. (KR) 2015-06-02 US disclosed
US-20140023949-A1 Tri-Block Copolymer and Electrolyte Membrane Made from the Same LG CHEM, LTD. (KR) 2014-01-23 US disclosed
US-20130273450-A1 TRI-BLOCK COPOLYMER AND ELECTROLYTE MEMBRANE MADE FROM THE SAME LG CHEM, LTD. (KR) 2013-10-17 US disclosed
US-20130273450-A1 TRI-BLOCK COPOLYMER AND ELECTROLYTE MEMBRANE MADE FROM THE SAME LG CHEM, LTD. (KR) 2013-10-17 US disclosed