SCHEMBL10695509

SCHEMBL10695509

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
GLA P06280 1/20 0.38
TP53 P04637 4/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALOX15 P16050 1/20 0.38
CYP2C19 P33261 1/20 0.38
TSHR P16473 3/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
HIF1A Q16665 2/20 0.34
CYP1A2 P05177 1/20 0.34
PPARG P37231 1/20 0.34
VDR P11473 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
CYP3A4 P08684 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
RBP4 P02753 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
SCHEMBL2555674 0.87 TP53 (0.52) ALDH1A1GLATP53CYP2D6CYP2C9
SCHEMBL10697138 0.84 ALDH1A1 (0.42) ALDH1A1GLATP53TSHRMAPT
SCHEMBL10699786 0.82 ALDH1A1 (0.45) ALDH1A1GLATP53CYP2D6CYP2C9
SCHEMBL9503663 0.81 ALDH1A1 (0.40) ALDH1A1GLATP53CYP2D6CYP2C9
SCHEMBL10698006 0.79 ALDH1A1 (0.40) ALDH1A1GLATP53TSHRMAPT
SCHEMBL1356636 0.76 ALDH1A1 (0.51) ALDH1A1GLATP53ALOX15TSHR
SCHEMBL409617 0.72 ALDH1A1 (0.45) ALDH1A1GLATP53ALOX15TSHR
SCHEMBL1593182 0.72 CYP2C9 (0.70) ALDH1A1TP53CYP2D6CYP2C9ALOX15
SCHEMBL12396515 0.71 ALDH1A1 (0.46) ALDH1A1GLATP53ALOX15TSHR
SCHEMBL10695602 0.70 ALDH1A1 (0.38) ALDH1A1GLATP53TSHRMAPT

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