SCHEMBL16640983

SCHEMBL16640983

C=CCOc1ccc(C(c2ccc(OCC3CO3)cc2)c2ccc(OCC3CO3)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
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
HPGD P15428 2/20 0.48
HIF1A Q16665 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
POLB P06746 1/20 0.39
APOBEC3A P31941 1/20 0.39
CASP6 P55212 1/20 0.39
APOBEC3G Q9HC16 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 0.91 TDP1 (0.50) TDP1ALDH1A1MAPTTP53TSHR
SCHEMBL19901808 0.91 TDP1 (0.50) TDP1ALDH1A1MAPTTP53TSHR
SCHEMBL11658554 0.91 TDP1 (0.59) TDP1ALDH1A1MAPTTP53TSHR
SCHEMBL15246778 0.87 TDP1 (0.63) TDP1ALDH1A1MAPTTP53TSHR
SCHEMBL17359243 0.87 TDP1 (0.63) TDP1ALDH1A1MAPTTP53TSHR
SCHEMBL14388708 0.87 TDP1 (0.63) TDP1ALDH1A1MAPTTP53TSHR
SCHEMBL17356545 0.87 TDP1 (0.63) TDP1ALDH1A1MAPTTP53TSHR
SCHEMBL50130 0.87 TDP1 (0.63) TDP1ALDH1A1MAPTTP53TSHR
SCHEMBL17051347 0.84 ALDH1A1 (0.42) TDP1ALDH1A1MAPTTP53TSHR
SCHEMBL15869182 0.82 CA12 (0.52) ALDH1A1MAPTTP53MEN1KMT2A

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 4 patents. 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
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
US-20150105493-A1 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) 2015-04-16 US disclosed
US-20150105493-A1 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) 2015-04-16 US disclosed