SCHEMBL7046977

SCHEMBL7046977

CC(=O)CCCCCCCCNC(C)=O

nearest known ligand 0.76

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.76
MAPK1 P28482 1/20 0.76
HIF1A Q16665 1/20 0.76
ADRA1A P35348 1/20 0.72
PAOX Q6QHF9 8/20 0.61
PRMT1 Q99873 1/20 0.46
TSHR P16473 1/20 0.44
CASP2 P42575 1/20 0.43
EPHX1 P07099 3/20 0.43
ALDH1A1 P00352 1/20 0.43
NAMPT P43490 1/20 0.42
FOLH1 Q04609 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
SCHEMBL17445713 1.00 KDM4E (0.76) KDM4EMAPK1HIF1AADRA1APAOX
SCHEMBL12302053 1.00 KDM4E (0.76) KDM4EMAPK1HIF1AADRA1APAOX
SCHEMBL24572062 1.00 KDM4E (0.76) KDM4EMAPK1HIF1AADRA1APAOX
SCHEMBL16318219 1.00 KDM4E (0.76) KDM4EMAPK1HIF1AADRA1APAOX
SCHEMBL13902111 0.98 KDM4E (0.71) KDM4EMAPK1HIF1AADRA1APAOX
SCHEMBL1687734 0.90 KDM4E (0.67) KDM4EMAPK1HIF1AADRA1APAOX
SCHEMBL20434232 0.89 KDM4E (0.67) KDM4EMAPK1HIF1AADRA1APAOX
SCHEMBL26279817 0.88 KDM4E (0.59) KDM4EMAPK1HIF1AADRA1APAOX
SCHEMBL14739904 0.87 KDM4E (1.00) KDM4EMAPK1HIF1AADRA1APAOX
SCHEMBL1900654 0.87 KDM4E (1.00) KDM4EMAPK1HIF1AADRA1APAOX

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-1163194-B1 SELECTIVE NITROGEN FUNCTIONALISATION OF ORGANIC COMPOUNDS F2 CHEMICALS LTD (GB) 2003-04-09 EP disclosed
US-6441232-B1 PREFERENTIAL FLUORINATION F2 CHEMICALS LTD. (GB) 2002-08-27 US disclosed
EP-1163194-A1 SELECTIVE NITROGEN FUNCTIONALISATION OF ORGANIC COMPOUNDS F2 Chemicals Limited (GB) 2001-12-19 EP disclosed
WO-2001053234-A1 SELECTIVE NITROGEN FUNCTIONALISATION OF ORGANIC COMPOUNDS F2 CHEMICALS LIMITED (GB) 2001-07-26 WO disclosed