SCHEMBL8760217

SCHEMBL8760217

CCCCCCCC/C=C\CCCCCCCCNCC=CCN

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 5/20 0.52
PPARA Q07869 2/20 0.49
FAAH O00519 3/20 0.47
TRPV1 Q8NER1 1/20 0.47
SLC6A5 Q9Y345 2/20 0.45
MEN1 O00255 1/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
SOAT1 P35610 1/20 0.42
KMT2A Q03164 1/20 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
SCHEMBL8424809 0.93 KDM1A (0.59) KDM1APPARA
SCHEMBL29077674 0.91 KDM1A (0.61) KDM1APPARAFAAHTRPV1
SCHEMBL9205985 0.89 KDM1A (0.58) KDM1APPARAFAAHTRPV1
SCHEMBL7037260 0.84 PPARA (0.50) KDM1APPARAFAAHTRPV1SLC6A5
SCHEMBL9213042 0.83 KDM1A (0.61) KDM1APPARAFAAHTRPV1
SCHEMBL11403842 0.83 KDM1A (0.61) KDM1APPARAFAAHTRPV1
SCHEMBL9235251 0.82 FAAH (0.58) PPARAFAAHTRPV1MEN1TP53
SCHEMBL3455495 0.82 FAAH (0.58) PPARAFAAHTRPV1MEN1TP53
SCHEMBL2184557 0.82 FAAH (0.58) PPARAFAAHTRPV1MEN1TP53
SCHEMBL625642 0.82 FAAH (0.58) PPARAFAAHTRPV1MEN1TP53

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
EP-0774017-A1 SCALE AND CORROSION INHIBITING COMPOSITION FOR PROTECTING SURFACES IN CONTACT WITH WATER AND METHOD FOR THE PREPARATION OF SAID COMPOSITION Concorde Chimie France (FR) 1997-05-21 EP disclosed
WO-1996004411-A1 SCALE AND CORROSION INHIBITING COMPOSITION FOR PROTECTING SURFACES IN CONTACT WITH WATER AND METHOD FOR THE PREPARATION OF SAID COMPOSITION CONCORDE CHIMIE FRANCE (FR) 1996-02-15 WO disclosed