SCHEMBL8848261

SCHEMBL8848261

CCc1ccc(C(C)(Cc2ccc([S+]([O-])CC(C)(C)C(=O)O)cc2)C(=O)O)cc1CC

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.30

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
SCHEMBL8848027 0.78 ELANE (0.48)
SCHEMBL7874058 0.77 ALDH1A1 (0.33)
SCHEMBL13038658 0.70 PPARA (0.37) PPARA
SCHEMBL8848023 0.65 APP (0.44)
SCHEMBL4202571 0.61 KIF11 (0.45)
SCHEMBL10867877 0.61 PTPN1 (0.45) PPARA
SCHEMBL6508516 0.61 PPARA (0.37) PPARA
SCHEMBL3872299 0.61 ALDH1A1 (0.64) PPARA
SCHEMBL3271614 0.60 HIF1A (0.52) PPARA
SCHEMBL8494644 0.60 SLC13A5 (0.50)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5663416-A ENZYME INHIBITORS AS ANTIINFLAMMATORY AGENTS OR DERMATITIS TREATMENT CORTECH INC. 1997-09-02 US claimed
US-5663416-A ENZYME INHIBITORS AS ANTIINFLAMMATORY AGENTS OR DERMATITIS TREATMENT CORTECH INC. 1997-09-02 US disclosed