SCHEMBL9875348

SCHEMBL9875348

COc1ncnc(OC)c1CCCCCCCCC=CCCCCCCCC(N)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
SOAT1 P35610 2/20 0.48
FAAH O00519 6/20 0.47
CYP3A4 P08684 2/20 0.47
MEN1 O00255 1/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 1/20 0.47
CNR1 P21554 5/20 0.42
ALDH1A1 P00352 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
F7 P08709 1/20 0.37
F3 P13726 1/20 0.37
EPHX2 P34913 1/20 0.36
LTB4R Q15722 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.36

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
SCHEMBL9874754 0.88 FAAH (0.50) KDM4ESOAT1FAAHCYP3A4MEN1
SCHEMBL9874099 0.74 KDM4E (0.47) KDM4ESOAT1FAAHCYP3A4MEN1
SCHEMBL756215 0.71 FAAH (0.78) KDM4ESOAT1FAAHCYP3A4MEN1
SCHEMBL15262896 0.71 FAAH (0.78) KDM4ESOAT1FAAHCYP3A4MEN1
SCHEMBL462422 0.71 FAAH (0.78) KDM4ESOAT1FAAHCYP3A4MEN1
SCHEMBL2088620 0.71 FAAH (0.78) KDM4ESOAT1FAAHCYP3A4MEN1
SCHEMBL376320 0.71 FAAH (0.78) KDM4ESOAT1FAAHCYP3A4MEN1
SCHEMBL15262992 0.71 FAAH (0.78) KDM4ESOAT1FAAHCYP3A4MEN1
SCHEMBL848425 0.71 FAAH (0.78) KDM4ESOAT1FAAHCYP3A4MEN1
SCHEMBL15263119 0.71 FAAH (0.78) KDM4ESOAT1FAAHCYP3A4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0245687-B1 SUBSTITUTED PYRIMIDINE AMIDES OF OLEIC OR LINOLEIC ACID AS INHIBITORS OF ACYL-COA CHOLESTEROL ACYLTRANSFERASE WARNER-LAMBERT COMPANY (US) 1991-02-27 EP claimed
EP-0245687-B1 SUBSTITUTED PYRIMIDINE AMIDES OF OLEIC OR LINOLEIC ACID AS INHIBITORS OF ACYL-COA CHOLESTEROL ACYLTRANSFERASE WARNER-LAMBERT COMPANY (US) 1991-02-27 EP disclosed
US-4722927-A ANTICHOLESTEROL AGENTS WARNER-LAMBERT COMPANY (US) 1988-02-02 US disclosed
EP-0245687-A1 Substituted pyrimidine amides of oleic or linoleic acid as inhibitors of acyl-coa cholesterol acyltransferase WARNER-LAMBERT COMPANY (US) 1987-11-19 EP disclosed