SCHEMBL10699786

SCHEMBL10699786

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
GLA P06280 1/20 0.45
TSHR P16473 5/20 0.40
TP53 P04637 4/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 2/20 0.40
HPGD P15428 2/20 0.40
HIF1A Q16665 2/20 0.40
MEN1 O00255 2/20 0.40
CYP1A2 P05177 1/20 0.40
PPARG P37231 1/20 0.40
VDR P11473 1/20 0.37
CYP3A4 P08684 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.35
MAPK1 P28482 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
ALOX15 P16050 1/20 0.33
CYP2C19 P33261 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
SCHEMBL2555674 0.85 TP53 (0.52) ALDH1A1GLATSHRTP53KMT2A
SCHEMBL1356636 0.85 ALDH1A1 (0.51) ALDH1A1GLATSHRTP53KMT2A
SCHEMBL9503663 0.84 ALDH1A1 (0.40) ALDH1A1GLATSHRTP53KMT2A
SCHEMBL10695509 0.82 ALDH1A1 (0.38) ALDH1A1GLATSHRTP53KMT2A
SCHEMBL409617 0.80 ALDH1A1 (0.45) ALDH1A1GLATSHRTP53KMT2A
SCHEMBL12396515 0.79 ALDH1A1 (0.46) ALDH1A1GLATSHRTP53KMT2A
SCHEMBL14095056 0.77 ALDH1A1 (0.42) ALDH1A1GLATSHRTP53KMT2A
SCHEMBL10697323 0.77 ALDH1A1 (0.45) ALDH1A1GLATSHRTP53KMT2A
SCHEMBL25731767 0.77 ALDH1A1 (0.39) ALDH1A1GLATSHRTP53KMT2A
SCHEMBL20804439 0.77 ALDH1A1 (0.51) ALDH1A1GLATSHRTP53KMT2A

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