SCHEMBL7754949

SCHEMBL7754949

CCCCCCCC/C=C\CCCCCCCCN(CCCCCCCC/C=C\CCCCCCCC)CCC(C)O

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.44
FAAH O00519 4/20 0.44
MEN1 O00255 2/20 0.44
CYP3A4 P08684 2/20 0.44
SOAT1 P35610 2/20 0.44
KMT2A Q03164 2/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
TRPV1 Q8NER1 1/20 0.41
KDM4E B2RXH2 2/20 0.41

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
SCHEMBL7759983 0.89 SPHK1 (0.42)
SCHEMBL28870461 0.89 SPHK1 (0.42)
SCHEMBL7759986 0.89 SPHK1 (0.42)
SCHEMBL7759653 0.89 SPHK1 (0.42)
SCHEMBL7754965 0.89 SPHK1 (0.42)
SCHEMBL7759998 0.84 EPHX2 (0.46) EPHX2FAAHMEN1CYP3A4SOAT1
SCHEMBL28455723 0.84 EPHX2 (0.46) EPHX2FAAHMEN1CYP3A4SOAT1
SCHEMBL219994 0.84 EPHX2 (0.46) EPHX2FAAHMEN1CYP3A4SOAT1
SCHEMBL1278252 0.84 EPHX2 (0.46) EPHX2FAAHMEN1CYP3A4SOAT1
Bromide SCHEMBL31320822 0.84 FAAH (0.42) EPHX2FAAHTRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6329327-B1 MOLYBDENUM AMINE COMPOUND FORMED BY REACTION OF HEXAVALENT MOLYBDENUM WITH AMINE ASAHI DENKA KOGYO, K.K. (JP) 2001-12-11 US disclosed
EP-1088882-A1 Lubricating compositions comprising a molybdenum-containing amine compound ASAHI DENKA KOGYO KABUSHIKI KAISHA (JP) 2001-04-04 EP disclosed