SCHEMBL4403345

SCHEMBL4403345

CCNCCCCCNC(=O)NCCCCCCNC(C)=O

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.64
MAPK1 P28482 1/20 0.64
HIF1A Q16665 1/20 0.64
PAOX Q6QHF9 3/20 0.62
EPHX1 P07099 8/20 0.57
ADRA1A P35348 1/20 0.52
PRMT1 Q99873 1/20 0.45
CYP2C19 P33261 2/20 0.44
CYP1A2 P05177 1/20 0.44
EPHX2 P34913 1/20 0.44
KDM1A O60341 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GLA P06280 1/20 0.41

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
SCHEMBL22306367 0.94 KDM4E (0.73) KDM4EMAPK1HIF1APAOXEPHX1
SCHEMBL19475701 0.92 PAOX (0.72) KDM4EMAPK1HIF1APAOXEPHX1
SCHEMBL24607202 0.90 PAOX (0.70) KDM4EMAPK1HIF1APAOXEPHX1
SCHEMBL6287287 0.88 EPHX1 (0.61) KDM4EMAPK1HIF1APAOXEPHX1
SCHEMBL17035521 0.87 PAOX (0.65) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL6286349 0.86 EPHX1 (0.76) PAOXEPHX1EPHX2
SCHEMBL25885493 0.86 PAOX (0.64) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL6290243 0.85 EPHX1 (0.58) PAOXEPHX1PRMT1CYP2C19CYP1A2
SCHEMBL6286920 0.83 EPHX1 (0.72) PAOXEPHX1CYP2C19CYP1A2EPHX2
SCHEMBL4438996 0.82 PAOX (0.57) PAOXEPHX1PRMT1CYP2C19CYP1A2

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-8173718-B2 Resilient, water dispersible polyurethane foams and products incorporating same GEORGIA-PACIFIC CONSUMER PRODUCTS LP (US) 2012-05-08 US disclosed
US-20090075030-A1 Resilient, Water Dispersible Polyurethane Foams and Products Incorporating Same GEORGIA-PACIFIC CONSUMER PRODUCTS LP (US) 2009-03-19 US disclosed