SCHEMBL10049653

SCHEMBL10049653

c1ccc2c(c1)-c1ccccc1C2(c1ccc(OCOc2ccc3cc(OCOc4ccc(C5(c6ccc(OCC7CO7)cc6)c6ccccc6-c6ccccc65)cc4)ccc3c2)cc1)c1ccc(OCC2CO2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.48
ALDH1A1 P00352 4/20 0.47
TP53 P04637 3/20 0.47
TSHR P16473 3/20 0.47
HIF1A Q16665 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CYP3A4 P08684 1/20 0.47
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
MAPT P10636 4/20 0.40
HPGD P15428 2/20 0.40
PKM P14618 2/20 0.40
LMNA P02545 2/20 0.40
CYP1A2 P05177 1/20 0.40
PPARG P37231 1/20 0.40
GAA P10253 1/20 0.40
FGFR1 P11362 1/20 0.39
SRC P12931 1/20 0.39
PDK2 Q15119 4/20 0.38
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL10049652 0.92 TDP1 (0.40) TDP1ALDH1A1TP53TSHRHIF1A
SCHEMBL29386694 0.91 ALDH1A1 (0.50) TDP1ALDH1A1TP53TSHRHIF1A
SCHEMBL16137710 0.91 ALDH1A1 (0.50) TDP1ALDH1A1TP53TSHRHIF1A
SCHEMBL17527003 0.91 ALDH1A1 (0.50) TDP1ALDH1A1TP53TSHRHIF1A
SCHEMBL157321 0.90 TDP1 (0.58) TDP1ALDH1A1TP53TSHRHIF1A
SCHEMBL15700021 0.90 TDP1 (0.58) TDP1ALDH1A1TP53TSHRHIF1A
SCHEMBL13827403 0.90 TDP1 (0.58) TDP1ALDH1A1TP53TSHRHIF1A
SCHEMBL29386530 0.90 TDP1 (0.58) TDP1ALDH1A1TP53TSHRHIF1A
SCHEMBL30044297 0.90 TDP1 (0.58) TDP1ALDH1A1TP53TSHRHIF1A
SCHEMBL23208560 0.89 TDP1 (0.42) TDP1ALDH1A1TP53TSHRHIF1A

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