SCHEMBL5070340

SCHEMBL5070340

C[CH]Cc1ccccc1-c1ccccc1C[CH]C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.37
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
BRD4 O60885 1/20 0.33
BRD9 Q9H8M2 1/20 0.33
BAZ2B Q9UIF8 1/20 0.33
BAZ2A Q9UIF9 1/20 0.33
CSNK2A2 P19784 1/20 0.32
CSNK2B P67870 1/20 0.32
CSNK2A1 P68400 1/20 0.32
CSNK2A3 Q8NEV1 1/20 0.32
CYP2D6 P10635 2/20 0.31
MAOB P27338 1/20 0.31
LTA4H P09960 1/20 0.31
TAAR1 Q96RJ0 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 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
SCHEMBL2421782 0.86 DPP4 (0.54) DPP4PDCD1CD274ALDH1A1HPGD
SCHEMBL9868218 0.80 CYP2C19 (0.44) DPP4PDCD1CD274KDM4EALDH1A1
SCHEMBL3281815 0.78
SCHEMBL1988589 0.77 TAAR1 (0.48) TAAR1ALDH1A1HPGD
SCHEMBL23530375 0.75
SCHEMBL28803517 0.75 TAAR1 (0.46) CYP2D6TAAR1CYP1A2
SCHEMBL1143685 0.75 IDO1 (0.50) CYP2D6TAAR1CYP1A2CYP3A4
SCHEMBL5316677 0.75 TAAR1 (0.48) TAAR1ALDH1A1
SCHEMBL4203494 0.75 HSPA5 (0.54) CYP2D6TAAR1KDM4EALDH1A1CYP3A4
SCHEMBL29900352 0.74 GABRA1 (0.61) DPP4GABRA1GABRB2CYP2D6KDM4E

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-7354679-B2 Ion conductive random copolymers POLYFUEL, INC. (US) 2008-04-08 US disclosed
EP-1704174-A4 ION CONDUCTIVE RANDOM COPOLYMERS POLYFUEL INC (US) 2007-05-30 EP disclosed
EP-1704174-A2 ION CONDUCTIVE RANDOM COPOLYMERS Polyfuel, Inc. (US) 2006-09-27 EP disclosed
US-20050181256-A1 Sulfonated PEEK; polythioethers, polysulfones; copolymers; polymer electrolyte membranes used in fuel cells; proton conductivity, methanol-resistance, chemical stability and methanol crossover UNIVERSITY OF NORTH FLORIDA BOARD OF TRUSTEES 2005-08-18 US disclosed
WO-2005050671-A2 ION CONDUCTIVE RANDOM COPOLYMERS POLYFUEL, INC. (US) 2005-06-02 WO disclosed