SCHEMBL9696478

SCHEMBL9696478

CC(C)(C)c1ccc(SC(CCCCOc2ccccc2)C(=O)O)cc1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 17/20 0.68
PPARA Q07869 16/20 0.68
ALOX5 P09917 14/20 0.68
PTGES O14684 11/20 0.61
ALDH1A1 P00352 2/20 0.49
MAPT P10636 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
NPC1 O15118 1/20 0.49
POLB P06746 1/20 0.49
CASP3 P42574 1/20 0.49
RAB9A P51151 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
LMNA P02545 1/20 0.48
HSP90AA1 P07900 1/20 0.48
THRB P10828 1/20 0.48

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
SCHEMBL9858491 0.86 PPARG (0.75) PPARGPPARAALOX5PTGESALDH1A1
SCHEMBL9613827 0.85 PPARG (0.73) PPARGPPARAALOX5PTGESALDH1A1
SCHEMBL9613945 0.81 ALDH1A1 (0.50) PPARGPPARAALOX5PTGESALDH1A1
SCHEMBL9696784 0.81 ALDH1A1 (0.50) PPARGPPARAALOX5PTGESALDH1A1
SCHEMBL9613848 0.80 PPARG (0.81) PPARGPPARAALOX5PTGESALDH1A1
SCHEMBL9613840 0.78 PPARG (0.59) PPARGPPARAALOX5PTGESALDH1A1
SCHEMBL9614172 0.77 PPARG (0.47) PPARGPPARAALOX5PTGESALDH1A1
SCHEMBL9858468 0.76 PPARG (0.74) PPARGPPARAALOX5PTGESALDH1A1
SCHEMBL9857889 0.76 PPARG (0.74) PPARGPPARAALOX5PTGESALDH1A1
SCHEMBL9614203 0.75 PPARG (0.72) PPARGPPARAALOX5PTGESALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0507238-A1 Optically active carboxylic acids and medicinal preparations containing them Roche Diagnostics GmbH (DE) 1992-10-07 EP disclosed