SCHEMBL10049652

SCHEMBL10049652

OC(COc1ccc(C2(c3ccc(OCOc4ccc5cc(OCC6CO6)ccc5c4)cc3)c3ccccc3-c3ccccc32)cc1)COc1ccc2cc(OCC3CO3)ccc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 3/20 0.40
TP53 P04637 3/20 0.40
TSHR P16473 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HIF1A Q16665 2/20 0.40
CYP3A4 P08684 1/20 0.40
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
PDK2 Q15119 4/20 0.36
HPGD P15428 3/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 2/20 0.34
CYP1A2 P05177 1/20 0.34
PPARG P37231 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
PKM P14618 1/20 0.34
FGFR1 P11362 1/20 0.34
SRC P12931 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
SCHEMBL10049666 0.95 TDP1 (0.41) TDP1ALDH1A1TP53TSHRSMN1; SMN2
SCHEMBL10049653 0.92 TDP1 (0.48) TDP1ALDH1A1TP53TSHRSMN1; SMN2
SCHEMBL1108679 0.92 TDP1 (0.48) TDP1ALDH1A1TP53TSHRSMN1; SMN2
SCHEMBL23588576 0.86 TDP1 (0.45) TDP1ALDH1A1TP53TSHRSMN1; SMN2
SCHEMBL10049665 0.86 CYP2D6 (0.39) TDP1ALDH1A1TP53TSHRSMN1; SMN2
SCHEMBL13735294 0.85 TDP1 (0.44) TDP1ALDH1A1TP53TSHRSMN1; SMN2
SCHEMBL13827161 0.85 TDP1 (0.44) TDP1ALDH1A1TP53TSHRSMN1; SMN2
SCHEMBL13735291 0.85 TDP1 (0.44) TDP1ALDH1A1TP53TSHRSMN1; SMN2
SCHEMBL21829155 0.85 TDP1 (0.40) TDP1ALDH1A1TP53TSHRSMN1; SMN2
SCHEMBL25912924 0.84 TDP1 (0.40) TDP1ALDH1A1TP53TSHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120041102-A1 NOVEL EPOXY RESIN AND EPOXY RESIN COMPOSITION COMPRISING THE SAME KOREA INSTITUTE OF INDUSTRIAL TECHNOLOGY (KR) 2012-02-16 US disclosed