SCHEMBL9502964

SCHEMBL9502964

CC(C)CCCc1cccc(CCCC(C)C)c1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.57
GABRB2 P47870 3/20 0.57
ALOX5 P09917 1/20 0.43
PTGS2 P35354 1/20 0.43
IAPP P10997 4/20 0.39
OPRM1 P35372 2/20 0.38
OPRD1 P41143 2/20 0.38
OPRK1 P41145 2/20 0.38
FAAH O00519 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRG2 P18507 1/20 0.37
PTGS1 P23219 1/20 0.37
SLC6A2 P23975 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
SCHEMBL5615700 0.92 GABRA1 (0.53) GABRA1GABRB2ALOX5PTGS2IAPP
SCHEMBL9502990 0.89 ALOX5 (0.55) GABRA1GABRB2ALOX5PTGS2CYP3A4
SCHEMBL6559322 0.87 GABRA1 (0.61) GABRA1GABRB2ALOX5PTGS2IAPP
SCHEMBL9348222 0.86 ALOX5 (0.55) GABRA1GABRB2ALOX5PTGS2CYP3A4
SCHEMBL9351889 0.86 GABRA1 (0.57) GABRA1GABRB2ALOX5PTGS2IAPP
SCHEMBL9351914 0.86 ALOX5 (0.47) GABRA1GABRB2ALOX5PTGS2
SCHEMBL8939870 0.83 IAPP (0.49) GABRA1GABRB2IAPP
SCHEMBL10585932 0.83 HMGB1 (0.59) GABRA1GABRB2HPGDGRIN2DGRIN2A
SCHEMBL7637846 0.82 SLC6A2 (0.41) GABRA1GABRB2LMNASLC6A2HIF1A
SCHEMBL9348275 0.82 GABRA1 (0.43) GABRA1GABRB2ALOX5PTGS2CA1

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