SCHEMBL9502990

SCHEMBL9502990

CCCCCCc1cccc(CCCC(C)C)c1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.55
PTGS2 P35354 1/20 0.55
TYR P14679 2/20 0.50
BID P55957 3/20 0.49
MCL1 Q07820 3/20 0.49
BCL2L1 Q07817 2/20 0.49
BAK1 Q16611 2/20 0.49
KAT8 Q9H7Z6 2/20 0.49
SAE1 Q9UBE0 2/20 0.49
PPARG P37231 1/20 0.49
PPARA Q07869 1/20 0.49
EP300 Q09472 1/20 0.49
KAT2A Q92830 1/20 0.49
KAT2B Q92831 1/20 0.49
KAT5 Q92993 1/20 0.49
LIPG Q9Y5X9 1/20 0.49
GABRA1 P14867 1/20 0.47
GABRB2 P47870 1/20 0.47
ELANE P08246 2/20 0.45
CTSG P08311 2/20 0.45

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
SCHEMBL9348222 0.97 ALOX5 (0.55) ALOX5PTGS2TYRBIDMCL1
SCHEMBL9351914 0.90 ALOX5 (0.47) ALOX5PTGS2TYRBIDMCL1
SCHEMBL5615700 0.90 GABRA1 (0.53) ALOX5PTGS2TYRBIDMCL1
SCHEMBL27745672 0.90 GABRA1 (0.53) ALOX5PTGS2TYRBIDMCL1
SCHEMBL9502964 0.89 GABRA1 (0.57) ALOX5PTGS2GABRA1GABRB2CYP3A4
SCHEMBL4959229 0.88 ALOX5 (0.68) ALOX5PTGS2TYRBIDMCL1
SCHEMBL4962037 0.88 ALOX5 (0.68) ALOX5PTGS2TYRBIDMCL1
SCHEMBL10926251 0.88 ALOX5 (0.68) ALOX5PTGS2TYRBIDMCL1
SCHEMBL199708 0.88 ALOX5 (0.68) ALOX5PTGS2TYRBIDMCL1
SCHEMBL4960231 0.88 ALOX5 (0.68) ALOX5PTGS2TYRBIDMCL1

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