SCHEMBL9503663

SCHEMBL9503663

Cc1cc(OCC2CO2)c(C(C)(C)C)cc1C(C)CC(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 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
GLA P06280 1/20 0.40
TP53 P04637 4/20 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
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
ALOX15 P16050 1/20 0.34
CYP2C19 P33261 1/20 0.34
VDR P11473 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
CYP3A4 P08684 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PTPN1 P18031 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
SCHEMBL10699562 0.86 ALDH1A1 (0.44) ALDH1A1GLATP53TSHRMAPT
SCHEMBL10699786 0.84 ALDH1A1 (0.45) ALDH1A1GLATP53TSHRMAPT
SCHEMBL2555674 0.84 TP53 (0.52) ALDH1A1GLATP53TSHRMAPT
SCHEMBL10695509 0.81 ALDH1A1 (0.38) ALDH1A1GLATP53TSHRMAPT
SCHEMBL1356636 0.78 ALDH1A1 (0.51) ALDH1A1GLATP53TSHRMAPT
SCHEMBL17171791 0.76 TP53 (0.36) TP53CYP2D6CYP2C9ALOX15CYP2C19
SCHEMBL10695804 0.76 ALDH1A1 (0.40) ALDH1A1GLATP53TSHRMAPT
SCHEMBL409617 0.74 ALDH1A1 (0.45) ALDH1A1GLATP53TSHRMAPT
SCHEMBL25731767 0.73 ALDH1A1 (0.39) ALDH1A1GLATP53TSHRMAPT
SCHEMBL823126 0.73 TP53 (0.36) TP53CYP2D6CYP2C9ALOX15CYP2C19

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0251431-A2 Epoxy resin MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1988-01-07 EP claimed
EP-0251431-B1 EPOXY RESIN MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1993-07-28 EP disclosed
US-5004764-A Curable resin containing filler MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1991-04-02 US disclosed
EP-0328411-A2 Composition for vibration damper, process for manufacture thereof, and vibration damper MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1989-08-16 EP disclosed
EP-0251431-A2 Epoxy resin MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1988-01-07 EP disclosed