SCHEMBL10698006

SCHEMBL10698006

Cc1cc(OCC2CO2)c(C(C)(C)C)cc1CCC(C)(c1cc(C(C)(C)C)c(OCC2CO2)cc1C)c1cc(C(C)(C)C)c(OCC2CO2)cc1C

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
GLA P06280 1/20 0.40
TP53 P04637 3/20 0.35
TSHR P16473 3/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HIF1A Q16665 2/20 0.35
CYP1A2 P05177 1/20 0.35
PPARG P37231 1/20 0.35
VDR P11473 1/20 0.34
CYP3A4 P08684 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL10696124 0.88 ALDH1A1 (0.41) ALDH1A1GLATP53TSHRMAPT
SCHEMBL10695509 0.79 ALDH1A1 (0.38) ALDH1A1GLATP53TSHRMAPT
SCHEMBL1356636 0.78 ALDH1A1 (0.51) ALDH1A1GLATP53TSHRMAPT
SCHEMBL409617 0.74 ALDH1A1 (0.45) ALDH1A1GLATP53TSHRMAPT
SCHEMBL10699786 0.74 ALDH1A1 (0.45) ALDH1A1GLATP53TSHRMAPT
SCHEMBL10460869 0.73 ALDH1A1 (0.50) ALDH1A1GLATP53TSHRMAPT
SCHEMBL12396515 0.73 ALDH1A1 (0.46) ALDH1A1GLATP53TSHRMAPT
SCHEMBL20804439 0.71 ALDH1A1 (0.51) ALDH1A1GLATP53TSHRMAPT
SCHEMBL9091679 0.71 ALDH1A1 (0.51) ALDH1A1GLATP53TSHRMAPT
SCHEMBL6264253 0.70 ALOX15 (0.45) ALDH1A1TP53TSHRMAPTHPGD

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
EP-0251431-A2 Epoxy resin MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1988-01-07 EP disclosed