SCHEMBL3303397

SCHEMBL3303397

CC(C)CCCCCCCCCCCCCCCC(N)CN

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
PLA2G1B P04054 1/20 0.40
PLA2G2A P14555 1/20 0.40
TRPV1 Q8NER1 1/20 0.39
TRPA1 O75762 1/20 0.39
ALDH1A1 P00352 2/20 0.38
OPRM1 P35372 1/20 0.35
SPHK1 Q9NYA1 1/20 0.33
HTR1A P08908 1/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33
S1PR2 O95136 4/20 0.32
S1PR1 P21453 4/20 0.32
S1PR3 Q99500 4/20 0.32
S1PR4 O95977 3/20 0.32

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
SCHEMBL16655069 0.92 LMNA (0.46) LMNAPLA2G1BPLA2G2AALDH1A1OPRM1
SCHEMBL18085360 0.92 LMNA (0.46) LMNAPLA2G1BPLA2G2AALDH1A1OPRM1
SCHEMBL9111058 0.83 ENPEP (0.38) PLA2G1BPLA2G2ATRPV1TRPA1ALDH1A1
SCHEMBL4000198 0.82 TRPV1 (0.42) LMNAPLA2G1BPLA2G2ATRPV1TRPA1
SCHEMBL4006368 0.82 TRPV1 (0.42) LMNAPLA2G1BPLA2G2ATRPV1TRPA1
SCHEMBL20758116 0.80
SCHEMBL1752089 0.80
SCHEMBL20833191 0.80
Hydrochloric Acid SCHEMBL9401879 0.80 ENPEP (0.36) PLA2G1BPLA2G2AALDH1A1OPRM1
SCHEMBL448507 0.79 PLA2G1B (0.56) PLA2G1BPLA2G2AALDH1A1OPRM1SPHK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2126014-B1 LUBRICATING OIL COMPOSITION COMPRISING AN EPOXIDISED ESTER AND AN ASPARTIC ACID DERIVATIVE SHELL INT RESEARCH (NL) 2012-08-29 EP disclosed
US-20100093574-A1 LUBRICATING OIL COMPOSITION COMPRISING AN EPOXIDIZED ESTER AND AN ASPARTIC ACID DERIVATIVE SHELL OIL COMPANY 2010-04-15 US disclosed
EP-2126014-A1 LUBRICATING OIL COMPOSITION COMPRISING AN EPOXIDISED ESTER AND AN ASPARTIC ACID DERIVATIVE Shell Internationale Research Maatschappij B.V. (NL) 2009-12-02 EP disclosed
EP-2109657-A1 LUBRICATING OIL COMPOSITION Showa Shell Sekiyu K. K. (JP) 2009-10-21 EP 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-2008095966-A1 LUBRICATING OIL COMPOSITION SHOWA SHELL SEKIYU K.K. (JP) 2008-08-14 WO disclosed
WO-2008074760-A1 LUBRICATING OIL COMPOSITION COMPRISING AN EPOXIDISED ESTER AND AN ASPARTIC ACID DERIVATIVE SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2008-06-26 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