SCHEMBL10697138

SCHEMBL10697138

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

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
GLA P06280 1/20 0.42
TDP1 Q9NUW8 1/20 0.36
TP53 P04637 3/20 0.35
TSHR P16473 3/20 0.35
HIF1A Q16665 2/20 0.35
CYP3A4 P08684 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
VDR P11473 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MAPT P10636 2/20 0.32
HPGD P15428 2/20 0.32
CYP1A2 P05177 1/20 0.32
PPARG P37231 1/20 0.32
PTPN1 P18031 1/20 0.31
HRH3 Q9Y5N1 1/20 0.30

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
SCHEMBL10695509 0.84 ALDH1A1 (0.38) ALDH1A1GLATDP1TP53TSHR
SCHEMBL10699562 0.78 ALDH1A1 (0.44) ALDH1A1GLATDP1TP53TSHR
SCHEMBL22134582 0.78 ALDH1A1 (0.63) ALDH1A1GLATDP1TP53TSHR
SCHEMBL10696124 0.73 ALDH1A1 (0.41) ALDH1A1GLATDP1TP53TSHR
SCHEMBL20258080 0.72 ALDH1A1 (0.46) ALDH1A1GLATDP1TP53TSHR
SCHEMBL2555674 0.72 TP53 (0.52) ALDH1A1GLATDP1TP53TSHR
SCHEMBL4538281 0.70 ALDH1A1 (0.54) ALDH1A1GLATDP1TP53TSHR
SCHEMBL24059194 0.69 ALDH1A1 (0.45) ALDH1A1GLATDP1TP53TSHR
SCHEMBL1304928 0.68 ALDH1A1 (0.40) ALDH1A1GLATP53TSHRHIF1A
SCHEMBL20272138 0.68 ALDH1A1 (0.41) ALDH1A1GLATDP1TP53TSHR

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