SCHEMBL9874099

SCHEMBL9874099

COc1cc(OC)nc(CCCCCCCCC=CCCCCCCCC(N)=O)n1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
SOAT1 P35610 2/20 0.47
FAAH O00519 3/20 0.46
MEN1 O00255 1/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 1/20 0.46
CNR1 P21554 6/20 0.41
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
TRPV1 Q8NER1 1/20 0.37
EPHX2 P34913 3/20 0.37

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
SCHEMBL9873770 0.87 KDM4E (0.48) KDM4ESOAT1FAAHMEN1TP53
SCHEMBL5190751 0.81 ALDH1A1 (0.46) KDM4ECYP1A2ALDH1A1POLB
SCHEMBL9875348 0.74 KDM4E (0.48) KDM4ESOAT1FAAHMEN1TP53
SCHEMBL462422 0.70 FAAH (0.78) KDM4ESOAT1FAAHMEN1TP53
SCHEMBL15262896 0.70 FAAH (0.78) KDM4ESOAT1FAAHMEN1TP53
SCHEMBL2088620 0.70 FAAH (0.78) KDM4ESOAT1FAAHMEN1TP53
SCHEMBL376320 0.70 FAAH (0.78) KDM4ESOAT1FAAHMEN1TP53
SCHEMBL848425 0.70 FAAH (0.78) KDM4ESOAT1FAAHMEN1TP53
SCHEMBL15263119 0.70 FAAH (0.78) KDM4ESOAT1FAAHMEN1TP53
SCHEMBL232435 0.70 FAAH (0.78) KDM4ESOAT1FAAHMEN1TP53

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 1 patent. 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