SCHEMBL9693392

SCHEMBL9693392

CCC(OCC1CO1)Oc1ccc(C(C)(C)c2ccc(OC(CC)OCC3CO3)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.60
TSHR P16473 4/20 0.60
TP53 P04637 3/20 0.60
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
HIF1A Q16665 3/20 0.60
MAPT P10636 2/20 0.60
HPGD P15428 2/20 0.60
CYP1A2 P05177 1/20 0.60
PPARG P37231 1/20 0.60
TDP1 Q9NUW8 1/20 0.34
SMN1; SMN2 Q16637 4/20 0.33
PKM P14618 2/20 0.33
GAA P10253 2/20 0.33
CYP3A4 P08684 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
GLA P06280 1/20 0.32
PSMB1 P20618 1/20 0.31
PSMB5 P28074 1/20 0.31

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
SCHEMBL11682632 0.82 TDP1 (0.53) ALDH1A1TSHRTP53MEN1KMT2A
SCHEMBL27945706 0.81 ALDH1A1 (0.53) ALDH1A1TSHRTP53MEN1KMT2A
SCHEMBL25767973 0.79 TP53 (0.55) ALDH1A1TSHRTP53MEN1KMT2A
SCHEMBL196794 0.79 KMT2A (0.37) ALDH1A1TSHRTP53MEN1KMT2A
SCHEMBL24048826 0.77 ALDH1A1 (0.82) ALDH1A1TSHRTP53MEN1KMT2A
SCHEMBL28265595 0.77 ALDH1A1 (0.55) ALDH1A1TSHRTP53MEN1KMT2A
SCHEMBL13717093 0.76 MEN1 (0.70) ALDH1A1TSHRTP53MEN1KMT2A
SCHEMBL14256255 0.76 ALDH1A1 (0.80) ALDH1A1TSHRTP53MEN1KMT2A
SCHEMBL24048984 0.76 ALDH1A1 (0.80) ALDH1A1TSHRTP53MEN1KMT2A
SCHEMBL12440176 0.76 ALDH1A1 (1.00) ALDH1A1TSHRTP53MEN1KMT2A

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
US-5132384-A Acrylated polyether copolymer NIPPON SHOKUBAI CO., LTD. (JP) 1992-07-21 US disclosed
EP-0430073-A2 Optical material of low specific gravity and excellent impact resistance, optical molding product using the optical material and manufacturing method thereof NIPPON SHOKUBAI CO., LTD. (JP) 1991-06-05 EP disclosed