SCHEMBL7629370

SCHEMBL7629370

CCC(CO)CCCC/C=C\CCCCCCCC(N)=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.59
SOAT1 P35610 2/20 0.59
CYP1A2 P05177 2/20 0.59
CYP2C19 P33261 2/20 0.59
KMT2A Q03164 2/20 0.59
MEN1 O00255 1/20 0.59
TP53 P04637 1/20 0.59
CYP3A4 P08684 1/20 0.59
KDM4E B2RXH2 2/20 0.54
CNR1 P21554 1/20 0.47
ALDH1A1 P00352 1/20 0.44
FFAR1 O14842 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
TERT O14746 3/20 0.42
MAPT P10636 2/20 0.42
BLM P54132 2/20 0.42
HSD17B10 Q99714 2/20 0.42
FABP4 P15090 2/20 0.42
F7 P08709 2/20 0.42
F3 P13726 2/20 0.42

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
SCHEMBL7619344 1.00 FAAH (0.59) FAAHSOAT1CYP1A2CYP2C19KMT2A
SCHEMBL7621344 1.00 FAAH (0.59) FAAHSOAT1CYP1A2CYP2C19KMT2A
SCHEMBL7620597 1.00 FAAH (0.59) FAAHSOAT1CYP1A2CYP2C19KMT2A
SCHEMBL7622255 1.00 FAAH (0.59) FAAHSOAT1CYP1A2CYP2C19KMT2A
SCHEMBL7624105 1.00 FAAH (0.59) FAAHSOAT1CYP1A2CYP2C19KMT2A
SCHEMBL7620605 1.00 FAAH (0.59) FAAHSOAT1CYP1A2CYP2C19KMT2A
SCHEMBL7623434 1.00 FAAH (0.59) FAAHSOAT1CYP1A2CYP2C19KMT2A
SCHEMBL7620581 0.95 KDM4E (0.62) FAAHSOAT1CYP1A2CYP2C19KMT2A
SCHEMBL7621800 0.95 KDM4E (0.62) FAAHSOAT1CYP1A2CYP2C19KMT2A
SCHEMBL7625796 0.95 KDM4E (0.62) 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-6444832-B1 OSTEOPOROSIS ESSWEIN ANGELIKA (DE) 2002-09-03 US disclosed
EP-0865422-B1 USE OF AMINOALCOHOLDERIVATIVES AS DRUGS, DERIVATIVES AND PROCESS FOR THEIR PREPARATION ROCHE DIAGNOSTICS GMBH (DE) 2001-07-11 EP disclosed