SCHEMBL2168560

SCHEMBL2168560

C/C(C=O)=C\C(C)Cc1ccc2c(c1)OCO2

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.61
TAAR1 Q96RJ0 3/20 0.55
SLC6A4 P31645 3/20 0.55
SLC6A2 P23975 2/20 0.55
SLC6A3 Q01959 2/20 0.55
CYP3A4 P08684 4/20 0.52
CYP2D6 P10635 2/20 0.52
KMT2A Q03164 2/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
ATM Q13315 1/20 0.47
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
TSHR P16473 1/20 0.45
POLB P06746 1/20 0.44
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL2168564 1.00 NPSR1 (0.61) NPSR1TAAR1SLC6A4SLC6A2SLC6A3
SCHEMBL13074977 0.83 NPSR1 (0.67) NPSR1TAAR1SLC6A4SLC6A2SLC6A3
SCHEMBL2800872 0.83 NPSR1 (0.67) NPSR1TAAR1SLC6A4SLC6A2SLC6A3
SCHEMBL29353865 0.83 NPSR1 (0.67) NPSR1TAAR1SLC6A4SLC6A2SLC6A3
SCHEMBL112940 0.83 NPSR1 (0.67) NPSR1TAAR1SLC6A4SLC6A2SLC6A3
SCHEMBL29619783 0.83 NPSR1 (0.67) NPSR1TAAR1SLC6A4SLC6A2SLC6A3
SCHEMBL12019595 0.81 CHRM2 (0.48) NPSR1TAAR1SLC6A4SLC6A2SLC6A3
SCHEMBL9309707 0.76 NPSR1 (1.00) NPSR1TAAR1SLC6A4SLC6A2SLC6A3
Cyclohexene SCHEMBL21192507 0.76 NPSR1 (0.58) NPSR1TAAR1SLC6A4SLC6A2SLC6A3
SCHEMBL16356746 0.76 TAAR1 (0.62) NPSR1TAAR1SLC6A4SLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1970368-B1 METHOD FOR PRODUCING OLEFIN COMPOUND SUMITOMO CHEMICAL CO (JP) 2012-08-29 EP disclosed
US-7985872-B2 Method for producing olefin compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-07-26 US disclosed
US-7985872-B2 Method for producing olefin compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-07-26 US disclosed
US-7985872-B2 Method for producing olefin compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-07-26 US disclosed
US-20090036620-A1 METHOD FOR PRODUCING OLEFIN COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-02-05 US disclosed
US-20090036620-A1 METHOD FOR PRODUCING OLEFIN COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-02-05 US disclosed
US-20090036620-A1 METHOD FOR PRODUCING OLEFIN COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-02-05 US disclosed
EP-1970368-A1 METHOD FOR PRODUCING OLEFIN COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-09-17 EP disclosed