SCHEMBL2906314

SCHEMBL2906314

Cc1cc(Oc2ccc(OCC3CO3)cc2)cc(Oc2ccc(OCC3CO3)cc2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
TP53 P04637 3/20 0.48
TSHR P16473 3/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
MAPT P10636 2/20 0.48
HPGD P15428 2/20 0.48
HIF1A Q16665 2/20 0.48
CYP1A2 P05177 2/20 0.48
PPARG P37231 1/20 0.48
TDP1 Q9NUW8 1/20 0.46
SMN1; SMN2 Q16637 5/20 0.45
CYP3A4 P08684 1/20 0.45
LMNA P02545 3/20 0.44
PKM P14618 2/20 0.44
GAA P10253 1/20 0.44
GLA P06280 1/20 0.40
GRM5 P41594 4/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38

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
SCHEMBL2903513 0.96 TSHR (0.45) ALDH1A1TP53TSHRMEN1KMT2A
SCHEMBL2906518 0.92 ALDH1A1 (0.47) ALDH1A1TP53TSHRMEN1KMT2A
SCHEMBL2904893 0.86 ALDH1A1 (0.48) ALDH1A1TP53TSHRMEN1KMT2A
SCHEMBL5634231 0.85 TDP1 (0.54) ALDH1A1TP53TSHRMEN1KMT2A
SCHEMBL2898805 0.83 ALDH1A1 (0.45) ALDH1A1TP53TSHRMEN1KMT2A
SCHEMBL2906459 0.79 ALDH1A1 (0.47) ALDH1A1TP53TSHRMEN1KMT2A
SCHEMBL2900335 0.79 TDP1 (0.50) ALDH1A1TP53TSHRMEN1KMT2A
SCHEMBL1170566 0.79 TDP1 (0.70) ALDH1A1TP53TSHRMEN1KMT2A
SCHEMBL19813836 0.79 TDP1 (0.70) ALDH1A1TP53TSHRMEN1KMT2A
SCHEMBL13527949 0.78 ALDH1A1 (0.60) ALDH1A1TP53TSHRMEN1KMT2A

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