SCHEMBL7835787

SCHEMBL7835787

CCC=C(N)CCCCCCC/C=C\CCCCCCCC

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.63
SOAT1 P35610 2/20 0.63
CYP1A2 P05177 2/20 0.63
CYP2C19 P33261 2/20 0.63
KMT2A Q03164 2/20 0.63
MEN1 O00255 1/20 0.63
TP53 P04637 1/20 0.63
CYP3A4 P08684 1/20 0.63
KDM4E B2RXH2 2/20 0.58
TERT O14746 3/20 0.53
PTPN1 P18031 3/20 0.53
PPARG P37231 3/20 0.53
PPARD Q03181 3/20 0.53
PPARA Q07869 3/20 0.53
MAPT P10636 2/20 0.53
BLM P54132 2/20 0.53
HSD17B10 Q99714 2/20 0.53
FABP4 P15090 2/20 0.53
GMNN O75496 1/20 0.53
USP2 O75604 1/20 0.53

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
SCHEMBL28328110 0.90 FAAH (0.66) FAAHSOAT1CYP1A2CYP2C19KMT2A
SCHEMBL28004444 0.90 SPHK2 (0.50) FAAHSOAT1CYP1A2CYP2C19KMT2A
SCHEMBL4542242 0.90 SPHK2 (0.50) FAAHSOAT1CYP1A2CYP2C19KMT2A
SCHEMBL15265074 0.90 SPHK2 (0.50) FAAHSOAT1CYP1A2CYP2C19KMT2A
SCHEMBL15265071 0.90 SPHK2 (0.50) FAAHSOAT1CYP1A2CYP2C19KMT2A
SCHEMBL11036898 0.90 SPHK2 (0.50) FAAHSOAT1CYP1A2CYP2C19KMT2A
SCHEMBL13061757 0.90 SPHK2 (0.50) FAAHSOAT1CYP1A2CYP2C19KMT2A
SCHEMBL4542239 0.90 SPHK2 (0.50) FAAHSOAT1CYP1A2CYP2C19KMT2A
SCHEMBL15264808 0.88 SPHK2 (0.46) FAAHSOAT1CYP1A2CYP2C19KMT2A
SCHEMBL15264809 0.88 SPHK2 (0.46) FAAHSOAT1CYP1A2CYP2C19KMT2A

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-6171521-B1 Zwitterionic water-soluble substituted imine corrosion inhibitors NALCO/EXXON ENERGY CHEMICALS, L.P. 2001-01-09 US disclosed
US-5993693-A PREFERRED ZWITTERIONIC IMINES ARE THE REACTION PRODUCTS OF THE MICHAEL ADDITION OF ACRYLIC ACID TO AN IMINE. NALCO/EXXON ENERGY CHEMICALS, L.P. (US) 1999-11-30 US disclosed