SCHEMBL9304523

SCHEMBL9304523

c1ccc2c(C([SiH2]OCC3CO3)[SiH2]OCC3CO3)cccc2c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HIF1A Q16665 1/20 0.37
ACP3 P15309 2/20 0.36
GLA P06280 1/20 0.36
KDM4E B2RXH2 1/20 0.35
AOC3 Q16853 1/20 0.34
CASR P41180 3/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
DHFR P00374 1/20 0.32

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
SCHEMBL28415101 0.75 ACP3 (0.39) TDP1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL753789 0.74 TDP1 (0.38) TDP1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL12781446 0.73 TDP1 (0.41) TDP1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL8522781 0.72 CYP2C9 (0.44) TDP1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL5026215 0.69 ALDH1A1 (0.62) TDP1ALDH1A1CYP1A2CYP2C19TP53
SCHEMBL93314 0.69 ALDH1A1 (0.62) TDP1ALDH1A1CYP1A2CYP2C19TP53
SCHEMBL5433989 0.69 ALDH1A1 (0.62) TDP1ALDH1A1CYP1A2CYP2C19TP53
SCHEMBL29402954 0.69 ALDH1A1 (0.62) TDP1ALDH1A1CYP1A2CYP2C19TP53
SCHEMBL7224162 0.67 PKM (0.49) TDP1ALDH1A1CYP1A2TP53CYP3A4
1-Naphthol SCHEMBL4269425 0.67 CYP1A2 (0.55) TDP1ALDH1A1CYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-6073158-A None JP disclosed
JP-H0673158-A EPOXY RESIN COMPOSITION AND SEALED SEMICONDUCTOR DEVICE TOSHIBA CHEM CORP 1994-03-15 JP disclosed