SCHEMBL2041065

SCHEMBL2041065

CCCCCCCCCN/C=C/N

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 6/20 0.56
ADH1B P00325 2/20 0.56
ADH1C P00326 2/20 0.56
ADH1A P07327 2/20 0.56
ADH7 P40394 2/20 0.56
ADH4 P08319 1/20 0.56
TSHR P16473 3/20 0.42
ALDH1A1 P00352 1/20 0.42
THRB P10828 1/20 0.38
PPARA Q07869 1/20 0.37
ZDHHC20 Q5W0Z9 1/20 0.36
ZDHHC2 Q9UIJ5 1/20 0.36
DNM1 Q05193 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL4410133 1.00 EPHX1 (0.56) EPHX1ADH1BADH1CADH1AADH7
SCHEMBL2041086 1.00 EPHX1 (0.56) EPHX1ADH1BADH1CADH1AADH7
SCHEMBL4002744 1.00 EPHX1 (0.56) EPHX1ADH1BADH1CADH1AADH7
SCHEMBL15982088 1.00 EPHX1 (0.56) EPHX1ADH1BADH1CADH1AADH7
SCHEMBL16452854 1.00 EPHX1 (0.56) EPHX1ADH1BADH1CADH1AADH7
SCHEMBL4008104 1.00 EPHX1 (0.56) EPHX1ADH1BADH1CADH1AADH7
SCHEMBL4000598 1.00 EPHX1 (0.56) EPHX1ADH1BADH1CADH1AADH7
SCHEMBL4003012 1.00 EPHX1 (0.56) EPHX1ADH1BADH1CADH1AADH7
SCHEMBL3999599 1.00 EPHX1 (0.56) EPHX1ADH1BADH1CADH1AADH7
SCHEMBL4007037 1.00 EPHX1 (0.56) EPHX1ADH1BADH1CADH1AADH7

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
WO-2011070141-A2 LUBRICATING OIL COMPOSITION SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2011-06-16 WO disclosed
US-20090318320-A1 Lubricating Oil Composition SHOWA SHELL SEKIYU K.K. (JP) 2009-12-24 US disclosed
EP-2074202-A2 LUBRICATING OIL COMPOSITION Showa Shell Sekiyu K. K. (JP) 2009-07-01 EP disclosed
WO-2009074667-A1 LUBRICATING OIL COMPOSITION SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2009-06-18 WO disclosed
WO-2009074664-A1 LUBRICATING OIL COMPOSITION SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2009-06-18 WO disclosed
WO-2008031808-A2 LUBRICATING OIL COMPOSITION AN ASPARTIC ACID DERIVATIVE AND A FATTY ESTER OF A POLYHYDRIC ALCOHOL SHOWA SHELL SEKIYU K.K. (JP) 2008-03-20 WO disclosed