SCHEMBL6901338

SCHEMBL6901338

CCCCc1ccccc1C(C)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 11/20 0.54
CYSLTR1 Q9Y271 11/20 0.54
BID P55957 3/20 0.42
MCL1 Q07820 3/20 0.42
BCL2L1 Q07817 2/20 0.42
BAK1 Q16611 2/20 0.42
KAT8 Q9H7Z6 2/20 0.42
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
EP300 Q09472 1/20 0.42
KAT2A Q92830 1/20 0.42
KAT2B Q92831 1/20 0.42
KAT5 Q92993 1/20 0.42
SAE1 Q9UBE0 1/20 0.42
LIPG Q9Y5X9 1/20 0.41

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
SCHEMBL28373053 0.95 CYSLTR2 (0.59) CYSLTR2CYSLTR1BIDMCL1BCL2L1
SCHEMBL10435204 0.94 CYSLTR2 (0.62) CYSLTR2CYSLTR1BIDMCL1BCL2L1
SCHEMBL3242848 0.94 CYSLTR2 (0.62) CYSLTR2CYSLTR1BIDMCL1BCL2L1
SCHEMBL4615949 0.90 CYSLTR2 (0.50) CYSLTR2CYSLTR1BIDMCL1BCL2L1
SCHEMBL27842150 0.85 CYSLTR2 (0.49) CYSLTR2CYSLTR1BIDMCL1BCL2L1
SCHEMBL5983552 0.84 PTGS2 (0.46)
SCHEMBL5112475 0.84 PTGS2 (0.46)
SCHEMBL30222272 0.84 PTGS2 (0.46)
SCHEMBL8133467 0.84 CYSLTR2 (0.45) CYSLTR2CYSLTR1
SCHEMBL28008700 0.83 CYSLTR2 (0.47) CYSLTR2CYSLTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1429807-A2 COMBINATION OF A NSAID AND A PDE-4 INHIBITOR ALTANA Pharma AG (DE) 2004-06-23 EP disclosed
WO-2003024489-A2 COMBINATION OF A NSAID AND A PDE-4 INHIBITOR ALTANA PHARMA AG (DE) 2003-03-27 WO disclosed
EP-0010346-A1 Polyolefins stabilized against light-induced degradation and a light stabilizer composition therefor AMERICAN CYANAMID COMPANY (US) 1980-04-30 EP disclosed
US-4152498-A CORROSION RESISTANCE, HIGH MELT STABILITY, AGING AND HEAT RESISTANCE DEMIDOVA VALENTINA M (SU) 1979-05-01 US disclosed
US-4152498-A CORROSION RESISTANCE, HIGH MELT STABILITY, AGING AND HEAT RESISTANCE DEMIDOVA VALENTINA M (SU) 1979-05-01 US disclosed