SCHEMBL19901808

SCHEMBL19901808

C=CCOc1ccc(C(c2ccc(OCC3CO3)cc2)C(c2ccc(OCC3CO3)cc2)c2ccc(OC[C@H]3CO3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.50
ALDH1A1 P00352 6/20 0.48
MAPT P10636 4/20 0.48
TP53 P04637 3/20 0.48
TSHR P16473 3/20 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
PKM P14618 2/20 0.48
GAA P10253 2/20 0.48
CYP1A2 P05177 1/20 0.48
PPARG P37231 1/20 0.48
LMNA P02545 1/20 0.48
CYP3A4 P08684 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39

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
SCHEMBL16641004 1.00 TDP1 (0.50) TDP1ALDH1A1MAPTTP53TSHR
SCHEMBL16640983 0.91 TDP1 (0.50) TDP1ALDH1A1MAPTTP53TSHR
SCHEMBL11658554 0.91 TDP1 (0.59) TDP1ALDH1A1MAPTTP53TSHR
SCHEMBL18593754 0.90 TDP1 (0.41) TDP1ALDH1A1MAPTTP53TSHR
SCHEMBL16644953 0.90 TDP1 (0.41) TDP1ALDH1A1MAPTTP53TSHR
SCHEMBL19901773 0.89 ALDH1A1 (0.42) TDP1ALDH1A1MAPTTP53TSHR
SCHEMBL16488801 0.87 TDP1 (0.63) TDP1ALDH1A1MAPTTP53TSHR
SCHEMBL31450 0.87 TDP1 (0.63) TDP1ALDH1A1MAPTTP53TSHR
SCHEMBL22294896 0.87 TDP1 (0.63) TDP1ALDH1A1MAPTTP53TSHR
SCHEMBL17051342 0.84 ALDH1A1 (0.42) TDP1ALDH1A1MAPTTP53TSHR

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-9902803-B2 Epoxy compound having alkoxy silyl group, composition comprising same, cured product, use thereof and method for preparing epoxy compound having alkoxy silyl group KOREA INSTITUTE OF INDUSTRIAL TECHNOLOGY (KR) 2018-02-27 US disclosed