SCHEMBL2904893

SCHEMBL2904893

Cc1cc(Oc2ccc(OCC3CO3)cc2)nc(Oc2ccc(OCC3CO3)cc2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.48
TP53 P04637 3/20 0.48
TSHR P16473 3/20 0.48
MAPT P10636 2/20 0.48
HPGD P15428 2/20 0.48
HIF1A Q16665 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
CYP1A2 P05177 1/20 0.48
PPARG P37231 1/20 0.48
TDP1 Q9NUW8 1/20 0.46
GAA P10253 2/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
CYP3A4 P08684 1/20 0.45
LMNA P02545 4/20 0.44
PKM P14618 2/20 0.44
NOS2 P35228 1/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
GLA P06280 1/20 0.40

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
SCHEMBL2898805 0.96 ALDH1A1 (0.45) ALDH1A1TP53TSHRMAPTHPGD
SCHEMBL2906459 0.92 ALDH1A1 (0.47) ALDH1A1TP53TSHRMAPTHPGD
SCHEMBL2906314 0.86 ALDH1A1 (0.48) ALDH1A1TP53TSHRMAPTHPGD
SCHEMBL5634231 0.85 TDP1 (0.54) ALDH1A1TP53TSHRMAPTHPGD
SCHEMBL2903513 0.83 TSHR (0.45) ALDH1A1TP53TSHRMAPTHPGD
SCHEMBL2904558 0.82 ALDH1A1 (0.42) ALDH1A1TSHRMAPTHPGDMEN1
SCHEMBL2904822 0.81 TDP1 (0.49) ALDH1A1TP53TSHRMAPTHPGD
SCHEMBL2906518 0.79 ALDH1A1 (0.47) ALDH1A1TP53TSHRMAPTHPGD
SCHEMBL2906849 0.77 TDP1 (0.45) ALDH1A1TP53TSHRMAPTHPGD
SCHEMBL5687008 0.77 ALDH1A1 (0.47) ALDH1A1TP53TSHRMAPTHPGD

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