SCHEMBL9502917

SCHEMBL9502917

CC(C)CCCCCCc1cc(C(C)C)c(O)c(C(C)C)c1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.55
GABRB1 P18505 4/20 0.55
GABRB2 P47870 2/20 0.55
GABRA5 P31644 1/20 0.55
GABRA3 P34903 1/20 0.55
GABRA2 P47869 1/20 0.55
GABRA4 P48169 1/20 0.55
GABRA6 Q16445 1/20 0.55
GSR P00390 1/20 0.49
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
FUT7 Q11130 1/20 0.44
MAPT P10636 1/20 0.41
TRPA1 O75762 1/20 0.40
PTGS2 P35354 2/20 0.39
DHFR P00374 1/20 0.37

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
SCHEMBL31655445 0.90 GABRA1 (0.47) GABRA1GABRB1GABRB2GABRA5GABRA3
SCHEMBL9308594 0.85 KAT8 (0.43) GABRA1GABRB1GABRB2GABRA5GABRA3
SCHEMBL8915502 0.85 KAT8 (0.43) GABRA1GABRB1GABRB2GABRA5GABRA3
SCHEMBL202072 0.84 PTGS2 (0.58) GABRA1GABRB1GABRB2GABRA5GABRA3
SCHEMBL200322 0.84 PTGS2 (0.58) GABRA1GABRB1GABRB2GABRA5GABRA3
Zinc Ion SCHEMBL9501655 0.83 FUT7 (0.41) GABRA1GABRB1GABRB2GABRA5GABRA3
SCHEMBL6417176 0.81 GABRA1 (0.58) GABRA1GABRB1GABRB2GABRA5GABRA3
SCHEMBL9500808 0.81 IGF1R (0.47)
SCHEMBL11813374 0.81 GABRA1 (0.54) GABRA1GABRB1GABRB2GABRA5GABRA3
SCHEMBL11808238 0.81 GABRA1 (0.54) GABRA1GABRB1GABRB2GABRA5GABRA3

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