SCHEMBL2906493

SCHEMBL2906493

c1nc(Oc2ccc(-c3ccc(OCCCCC4CO4)cc3)cc2)cc(Oc2ccc(-c3ccc(OCCCCC4CO4)cc3)cc2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.37
NPC1 O15118 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LTA4H P09960 3/20 0.35
PTGS2 P35354 1/20 0.35
KCNH2 Q12809 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
HRH4 Q9H3N8 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34

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
SCHEMBL2905143 0.87 HDAC3 (0.39) HRH3LTA4HKCNH2HRH4HDAC3
SCHEMBL2903528 0.86 MEN1 (0.37) HRH3NPC1CYP1A2CYP2C9CYP2C19
SCHEMBL2898859 0.86 LTA4H (0.36) HRH3NPC1CYP1A2CYP2C9CYP2C19
SCHEMBL5687943 0.85 LTA4H (0.50) HRH3CYP1A2CYP2C9CYP2C19LTA4H
SCHEMBL2718081 0.84 HRH3 (0.44) HRH3CYP1A2KCNH2CYP3A4CYP2D6
SCHEMBL2833284 0.84 HRH3 (0.44) HRH3CYP1A2KCNH2CYP3A4CYP2D6
SCHEMBL2898836 0.84 HRH3 (0.34) HRH3CYP1A2CYP2C9CYP2C19LTA4H
SCHEMBL2898624 0.84 FFAR4 (0.37) CYP1A2CYP2C9CYP2C19LTA4HCYP3A4
SCHEMBL2903660 0.83 TDP1 (0.50) NPC1CYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL2899269 0.83 LTA4H (0.36) HRH3CYP2C9CYP2C19LTA4HPTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1636209-B1 EPOXY COMPOUND AND CURED EPOXY RESIN PRODUCT SUMITOMO CHEMICAL CO (JP) 2010-08-11 EP disclosed
US-7279574-B2 Epoxy compound and cured epoxy resin product SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-10-09 US disclosed
US-20060159929-A1 Epoxy compound and cured epoxy resin product HITACHI, LTD. (JP) 2006-07-20 US disclosed
EP-1636209-A1 EPOXY COMPOUND AND CURED EPOXY RESIN PRODUCT Sumitomo Chemical Company, Limited (JP) 2006-03-22 EP disclosed
WO-2004113327-A1 EPOXY COMPOUND AND CURED EPOXY RESIN PRODUCT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-12-29 WO disclosed