SCHEMBL2906330

SCHEMBL2906330

Cc1cc(Oc2ccc(-c3ccc(OCCCCC4CO4)cc3)cc2)nnc1Oc1ccc(-c2ccc(OCCCCC3CO3)cc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.33
CYP2C9 P11712 4/20 0.33
CYP2C19 P33261 4/20 0.33
CYP1A2 P05177 3/20 0.33
CYP2D6 P10635 3/20 0.33
CYP3A4 P08684 2/20 0.33
ACACB O00763 2/20 0.32
ACACA Q13085 2/20 0.32
HRH3 Q9Y5N1 3/20 0.31
ALDH1A1 P00352 3/20 0.31
FFAR4 Q5NUL3 1/20 0.31
MAPT P10636 3/20 0.31
TSHR P16473 3/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
RAB9A P51151 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TP53 P04637 2/20 0.31
HPGD P15428 2/20 0.31

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
SCHEMBL2905081 0.86 ALDH1A1 (0.45) CYP1A2CYP3A4ALDH1A1MAPTTSHR
SCHEMBL2903528 0.85 MEN1 (0.37) CYP19A1CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL2898624 0.82 FFAR4 (0.37) CYP19A1CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL2906343 0.82 ALDH1A1 (0.48) CYP1A2CYP3A4ALDH1A1MAPTTSHR
SCHEMBL2906493 0.81 HRH3 (0.37) CYP2C9CYP2C19CYP1A2CYP2D6CYP3A4
SCHEMBL2904558 0.80 ALDH1A1 (0.42) CYP19A1CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL2833284 0.78 HRH3 (0.44) CYP1A2CYP2D6CYP3A4HRH3ALDH1A1
SCHEMBL2718081 0.78 HRH3 (0.44) CYP1A2CYP2D6CYP3A4HRH3ALDH1A1
SCHEMBL2905143 0.78 HDAC3 (0.39) HRH3FFAR4MEN1KMT2APPARG
SCHEMBL2898859 0.78 LTA4H (0.36) CYP19A1CYP2C9CYP2C19CYP1A2CYP2D6

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