SCHEMBL1712249

SCHEMBL1712249

CCCCCCCCCCCC=C(OC)C(N)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 1/20 0.48
FAAH O00519 3/20 0.47
SOAT1 P35610 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 2/20 0.47
MEN1 O00255 1/20 0.47
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
KMT2A Q03164 1/20 0.47
KDM4E B2RXH2 2/20 0.43
CNR1 P21554 1/20 0.41
EPHX1 P07099 1/20 0.40
CNR2 P34972 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
GMNN O75496 1/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL1712244 1.00 EP300 (0.48) EP300FAAHSOAT1CYP1A2CYP2C19
SCHEMBL6048387 0.92 GRIK1 (0.39) EP300FAAHSOAT1CYP1A2CYP2C19
SCHEMBL1556036 0.84 GRIK1 (0.35) FAAHSOAT1CYP1A2CYP2C19MEN1
SCHEMBL2821145 0.83 EP300 (0.60) EP300FAAHCYP1A2CYP2C19KMT2A
SCHEMBL2552303 0.83 EP300 (0.60) EP300FAAHCYP1A2CYP2C19KMT2A
SCHEMBL2398089 0.83 EP300 (0.60) EP300FAAHCYP1A2CYP2C19KMT2A
SCHEMBL2821148 0.83 EP300 (0.60) EP300FAAHCYP1A2CYP2C19KMT2A
SCHEMBL2552668 0.83 EP300 (0.60) EP300FAAHCYP1A2CYP2C19KMT2A
SCHEMBL2397834 0.83 EP300 (0.60) EP300FAAHCYP1A2CYP2C19KMT2A
SCHEMBL2552306 0.83 EP300 (0.60) EP300FAAHCYP1A2CYP2C19KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2343974-A2 NA CHANNELS, DISEASE, AND RELATED ASSAYS AND COMPOSITIONS Georgetown University (US) 2011-07-20 EP disclosed
WO-2010027641-A2 NA CHANNELS, DISEASE, AND RELATED ASSAYS AND COMPOSITIONS GEORGETOWN UNIVERSITY (US) 2010-03-11 WO disclosed
WO-2010019963-A2 NA CHANNELS, DISEASE, AND RELATED ASSAYS AND COMPOSITIONS GEORGETOWN UNIVERSITY (US) 2010-02-18 WO disclosed