SCHEMBL14155671

SCHEMBL14155671

CCC(CCCCNC(C)=O)(CCCC(C)NC(C)=O)CCCC(C)NC(C)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
MAPK1 P28482 1/20 0.44
HIF1A Q16665 1/20 0.44
PAOX Q6QHF9 3/20 0.41
ADRA1A P35348 1/20 0.38
FOLH1 Q04609 1/20 0.38
SIRT6 Q8N6T7 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
EPHX1 P07099 3/20 0.35
SIRT5 Q9NXA8 1/20 0.33
MLYCD O95822 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
TAS1R2 Q8TE23 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL12124481 0.89 TAS1R3 (0.38) MLYCDTAS1R3TAS1R1TAS1R2MTNR1A
SCHEMBL15113029 0.85 TAS1R3 (0.36) MLYCDTAS1R3TAS1R1TAS1R2MTNR1A
SCHEMBL13936433 0.84 KDM4E (0.58) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL432565 0.84 KDM4E (0.58) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL13936432 0.84 KDM4E (0.58) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL17560257 0.74 KDM4E (0.46) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL13752055 0.71 KDM4E (0.50) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL12107463 0.71 KDM4E (0.46) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL2760205 0.70 TAS1R3 (0.50) MAPK1MLYCDTAS1R3TAS1R1TAS1R2
SCHEMBL14156359 0.70 CYP2C19 (0.41) KDM4EMAPK1HIF1APAOXSIRT6

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-20160168404-A1 Phase Change Ink For Ophthalmic Lens Marking XEROX CORPORATION 2016-06-16 US disclosed
US-20080145559-A1 Comprising a phase change ink carrier and a phthalocyanine molecule; radiation curable ink XEROX CORPORATION 2008-06-19 US disclosed