SCHEMBL9500740

SCHEMBL9500740

CCCCCCc1cc(C(C)(C)C)ccc1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.54
ESR1 P03372 4/20 0.53
ESR2 Q92731 4/20 0.53
TYR P14679 3/20 0.51
ALOX15 P16050 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
MEN1 O00255 2/20 0.51
MAPT P10636 2/20 0.51
KMT2A Q03164 2/20 0.51
TP53 P04637 1/20 0.51
CYP3A4 P08684 1/20 0.51
ALOX5 P09917 1/20 0.51
TSHR P16473 1/20 0.51
HTT P42858 1/20 0.51
ALDH1A1 P00352 2/20 0.48
HPGD P15428 1/20 0.48
HSD17B10 Q99714 1/20 0.48
KLF10 Q13118 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL9068821 1.00 CYP2D6 (0.54) CYP2D6ESR1ESR2TYRALOX15
SCHEMBL10790807 0.98 CYP2D6 (0.56) CYP2D6ESR1ESR2TYRALOX15
SCHEMBL673962 0.93 CYP2D6 (0.57) CYP2D6ESR1ESR2TYRALOX15
SCHEMBL14956383 0.90 KLF10 (0.59) CYP2D6ESR1ESR2TYRALOX15
SCHEMBL7160007 0.88 KLF10 (0.61) CYP2D6ESR1ESR2TYRALOX15
SCHEMBL11800133 0.87 TYR (0.65) CYP2D6TYRALOX15TDP1MEN1
SCHEMBL5165521 0.86 CYP2D6 (0.61) CYP2D6ESR1ESR2ALOX15TDP1
SCHEMBL11802180 0.84 CYP3A4 (0.56) CYP2D6ESR1ESR2TYRALOX15
SCHEMBL21002165 0.84 CYP2D6 (0.67) CYP2D6ESR1ESR2TYRALOX15
SCHEMBL1021396 0.83 KLF10 (0.51) CYP2D6ESR1ESR2TYRALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9795549-B2 1,2-alkane polyol-containing composition OSAKA ORGANIC CHEMICAL INDUSTRY LTD. (JP) 2017-10-24 US disclosed
US-20160045414-A1 1,2-ALKANE POLYOL-CONTAINING COMPOSITION OSAKA ORGANIC CHEMICAL INDUSTRY LTD. (JP) 2016-02-18 US disclosed
EP-2985017-A1 1,2-ALKANE POLYOL-CONTAINING COMPOSITION Osaka Organic Chemical Ind., Ltd. (JP) 2016-02-17 EP disclosed
EP-0318941-B1 DEVELOPER FOR PRESSURE-SENSITIVE RECORDING SHEETS, AQUEOUS DISPERSION OF THE DEVELOPER AND METHOD FOR PREPARING THE DEVELOPER Sanko Kaihatsu Kagaku Kenkyusho (JP) 1993-06-09 EP disclosed
US-5118443-A DEVELOPER FOR PRESSURE-SENSITIVE RECORDING SHEETS, AQUEOUS DISPERSION OF THE DEVELOPER AND METHOD FOR PREPARING THE DEVELOPER SANKO KAIHATSU KAGAKU KENKYUSHO (JP) 1992-06-02 US disclosed
EP-0318941-A2 Developer for pressure-sensitive recording sheets, aqueous dispersion of the developer and method for preparing the developer Sanko Kaihatsu Kagaku Kenkyusho (JP) 1989-06-07 EP disclosed