SCHEMBL9501927

SCHEMBL9501927

CC(C)CCCCCCCCCc1cc(C(C)C)ccc1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.43
ALDH1A1 P00352 2/20 0.43
HIF1A Q16665 2/20 0.43
GAA P10253 1/20 0.43
ALOX12 P18054 1/20 0.43
RNASEH1 O60930 1/20 0.41
TSHR P16473 3/20 0.41
LMNA P02545 2/20 0.41
TRPA1 O75762 1/20 0.41
PTGS1 P23219 1/20 0.41
CACNA1C Q13936 1/20 0.41
HSP90AA1 P07900 2/20 0.38
HSP90AB1 P08238 2/20 0.38
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
TYR P14679 4/20 0.37
PKM P14618 1/20 0.36
ADRB2 P07550 3/20 0.36
MEN1 O00255 2/20 0.36
CYP3A4 P08684 2/20 0.36

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
SCHEMBL9501884 0.87 TYR (0.46) HTTALDH1A1HIF1AGAAALOX12
SCHEMBL3461803 0.83 TYR (0.49) HTTALDH1A1HIF1AALOX12TSHR
SCHEMBL29457621 0.83 TYR (0.49) HTTALDH1A1HIF1AALOX12TSHR
SCHEMBL10783247 0.83 TYR (0.49) HTTALDH1A1HIF1AALOX12TSHR
SCHEMBL9500618 0.82 AMY1A (0.46) HTTALDH1A1HIF1AGAATSHR
SCHEMBL2546062 0.82 AMY1A (0.46) HTTALDH1A1HIF1AGAATSHR
SCHEMBL9504221 0.82 AMY1A (0.46) HTTALDH1A1HIF1AGAATSHR
SCHEMBL8465007 0.82 GABRA1 (0.50) TSHRGABRA1GABRB2MEN1CYP3A4
SCHEMBL8461732 0.82 GABRA1 (0.50) TSHRGABRA1GABRB2MEN1CYP3A4
SCHEMBL5166613 0.81 TYR (0.49) HTTALDH1A1HIF1AGAAALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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