SCHEMBL3629044

SCHEMBL3629044

C=Cc1ccc(C)cc1CCC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.37
TP53 P04637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SRC P12931 1/20 0.35
MAPT P10636 4/20 0.33
POLB P06746 3/20 0.33
ALDH1A1 P00352 3/20 0.33
GPR55 Q9Y2T6 1/20 0.33
KDM4E B2RXH2 1/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
PDE5A O76074 2/20 0.32
GAA P10253 1/20 0.32
THRB P10828 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
AMY1A P0DUB6 1/20 0.32
NQO2 P16083 1/20 0.31

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
SCHEMBL3626784 0.89 TLR7 (0.40) TAAR1TP53TDP1SRCMAPT
SCHEMBL16953613 0.85 SRC (0.39) TAAR1TP53TDP1SRCMAPT
SCHEMBL3025738 0.84 TP53 (0.38) TAAR1TP53TDP1SRCMAPT
SCHEMBL29749459 0.81 CNR1 (0.41) THRB
SCHEMBL1264528 0.81 CNR1 (0.41) THRB
SCHEMBL29089123 0.81 TAAR1 (0.37) TAAR1SRCMAPTPOLBALDH1A1
SCHEMBL28765524 0.81 SRC (0.50) TAAR1SRCMAPTPOLBALDH1A1
SCHEMBL22542413 0.81 ALOX5 (0.34)
SCHEMBL809697 0.80 MAPT (0.39) TAAR1TP53TDP1SRCMAPT
SCHEMBL809923 0.80 TAAR1 (0.34) TAAR1TP53TDP1SRCMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3630752-B1 SUBSTITUTED NITROGEN CONTAINING COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2021-06-30 EP disclosed
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