SCHEMBL2903528

SCHEMBL2903528

c1cc(-c2ccc(Oc3ccc(Oc4ccc(-c5ccc(OCCCCC6CO6)cc5)cc4)nn3)cc2)ccc1OCCCCC1CO1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
HRH3 Q9Y5N1 3/20 0.35
MCHR1 Q99705 2/20 0.35
CHRM1 P11229 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
ACACB O00763 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
SCHEMBL2923253 0.88 ACACB (0.39) ACACBACACACYP19A1LTA4HCYP2C9
SCHEMBL2718081 0.87 HRH3 (0.44) MEN1KMT2ACYP3A4CYP2D6HRH3
SCHEMBL2833284 0.87 HRH3 (0.44) MEN1KMT2ACYP3A4CYP2D6HRH3
SCHEMBL2906493 0.86 HRH3 (0.37) CYP3A4CYP2D6HRH3HDAC3HDAC4
SCHEMBL2905143 0.86 HDAC3 (0.39) MEN1KMT2AHRH3HDAC3HDAC4
SCHEMBL2906330 0.85 CYP19A1 (0.33) MEN1KMT2ACYP3A4CYP2D6HRH3
SCHEMBL2899269 0.85 LTA4H (0.36) CYP3A4CYP2D6HRH3HDAC3HDAC4
SCHEMBL2720901 0.85 HRH3 (0.42) MEN1KMT2ACYP3A4CYP2D6HRH3
SCHEMBL2720688 0.85 HRH3 (0.42) MEN1KMT2ACYP3A4CYP2D6HRH3
SCHEMBL2718715 0.85 HRH3 (0.42) MEN1KMT2ACYP3A4CYP2D6HRH3

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