SCHEMBL11529482

SCHEMBL11529482

CCC(C)(Cc1ccc(C)cc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 12/20 0.49
PPARD Q03181 6/20 0.49
PPARG P37231 4/20 0.49
HPGD P15428 1/20 0.49
BLM P54132 1/20 0.43
CTBP2 P56545 1/20 0.43
MMP8 P22894 1/20 0.40
SRD5A2 P31213 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL27490673 0.85 BLM (0.61) PPARAPPARDPPARGBLM
SCHEMBL3270164 0.85 PPARA (0.55) PPARAPPARDPPARGMMP8SMN1; SMN2
SCHEMBL11527067 0.84 PPARA (0.54) PPARAPPARDPPARG
SCHEMBL24440180 0.82 HPGD (0.46) PPARAPPARDHPGDCTBP2SRD5A2
SCHEMBL11531882 0.82 HPGD (0.50) PPARAPPARDPPARGHPGDCTBP2
SCHEMBL4457891 0.79 BLM (0.47) PPARAPPARGHPGDBLMCTBP2
SCHEMBL19183326 0.78 PPARA (0.46) PPARAPPARDPPARGHPGDBLM
SCHEMBL14672757 0.77 HPGD (0.43) HPGDBLMCTBP2SRD5A2SMN1; SMN2
SCHEMBL27880060 0.76 BLM (0.46) HPGDBLMCTBP2SRD5A2SMN1; SMN2
SCHEMBL15314315 0.76 ALDH1A1 (0.46) HPGDBLMCTBP2SRD5A2SMN1; SMN2

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
US-4166131-A ANTIINFLAMMATORY AGENTS, ANTIPYRETICS, ANTIARTHRITIC AGENT HEXACHIMIE SOCIETE ANONYME (FR) 1979-08-28 US disclosed