SCHEMBL10696825

SCHEMBL10696825

CC(=O)c1ccc2c(c1)C(c1cc(C)c(OCC3CO3)c(C)c1)(c1cc(C)c(OCC3CO3)c(C)c1)c1ccccc1-2

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 10/20 0.41
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
ALDH1A1 P00352 2/20 0.36
GLA P06280 1/20 0.36
S100A4 P26447 1/20 0.34
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAOB P27338 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HIF1A Q16665 1/20 0.33

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
SCHEMBL29876754 0.87 ALDH1A1 (0.47) PDK2ESR1ESR2ALDH1A1GLA
SCHEMBL1673426 0.87 ALDH1A1 (0.47) PDK2ESR1ESR2ALDH1A1GLA
SCHEMBL15835632 0.81 ESR1 (0.40) ESR1ESR2ALDH1A1GLANPC1
SCHEMBL10696550 0.81 TDP1 (0.47) PDK2ESR1ESR2ALDH1A1GLA
SCHEMBL31275393 0.80 ESR1 (0.41) ESR1ESR2ALDH1A1GLAMAPT
SCHEMBL10699374 0.80 ALDH1A1 (0.49) ESR1ESR2ALDH1A1GLAMAPT
SCHEMBL15499292 0.78 ESR1 (0.38) ESR1ESR2ALDH1A1GLATDP1
SCHEMBL13816605 0.78 ALDH1A1 (0.40) ESR1ESR2ALDH1A1GLAMAPT
SCHEMBL17061462 0.77 ESR1 (0.40) ESR1ESR2ALDH1A1GLAMAPT
SCHEMBL19880372 0.77 ESR1 (0.43) PDK2ESR1ESR2ALDH1A1GLA

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
EP-0274209-A1 Glycidylethers of fluorene-containing bisphenols MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1988-07-13 EP disclosed
US-4707534-A PROTECTIVE COATINGS, POLYEPOXIDES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1987-11-17 US disclosed