SCHEMBL7620581

SCHEMBL7620581

CCC(CO)CCCCC/C=C/C/C=C/CCCCCCCC(N)=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.62
SOAT1 P35610 2/20 0.62
CNR1 P21554 1/20 0.55
CYP3A4 P08684 3/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
FAAH O00519 1/20 0.54
TP53 P04637 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C19 P33261 1/20 0.54
ALDH1A1 P00352 7/20 0.46
F7 P08709 5/20 0.46
F3 P13726 5/20 0.46
CYP19A1 P11511 3/20 0.46
PPARG P37231 3/20 0.46
PPARD Q03181 3/20 0.46
PPARA Q07869 3/20 0.46
FABP3 P05413 3/20 0.46
OXER1 Q8TDS5 2/20 0.46
MAPT P10636 2/20 0.46

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
SCHEMBL7625796 1.00 KDM4E (0.62) KDM4ESOAT1CNR1CYP3A4MEN1
SCHEMBL7621800 1.00 KDM4E (0.62) KDM4ESOAT1CNR1CYP3A4MEN1
SCHEMBL7621344 0.95 FAAH (0.59) KDM4ESOAT1CNR1CYP3A4MEN1
SCHEMBL7620605 0.95 FAAH (0.59) KDM4ESOAT1CNR1CYP3A4MEN1
SCHEMBL7622255 0.95 FAAH (0.59) KDM4ESOAT1CNR1CYP3A4MEN1
SCHEMBL7623434 0.95 FAAH (0.59) KDM4ESOAT1CNR1CYP3A4MEN1
SCHEMBL7619344 0.95 FAAH (0.59) KDM4ESOAT1CNR1CYP3A4MEN1
SCHEMBL7620597 0.95 FAAH (0.59) KDM4ESOAT1CNR1CYP3A4MEN1
SCHEMBL7629370 0.95 FAAH (0.59) KDM4ESOAT1CNR1CYP3A4MEN1
SCHEMBL7624105 0.95 FAAH (0.59) KDM4ESOAT1CNR1CYP3A4MEN1

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