SCHEMBL7874058

SCHEMBL7874058

CCc1ccc(C(C)(Cc2ccc(SCC(C)(C)C(=O)O)cc2)C(=O)O)cc1CC

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.31
BLM P54132 1/20 0.31

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) ALDH1A1BLM
SCHEMBL7874029 0.77 ELANE (0.47) ALDH1A1
SCHEMBL8848261 0.77 PPARA (0.30)
SCHEMBL7350612 0.68 BLM (0.43) ALDH1A1SMN1; SMN2BLM
SCHEMBL2816778 0.68 FFAR1 (0.50) ALDH1A1SMN1; SMN2
SCHEMBL8101750 0.67 SMN1; SMN2 (0.49) ALDH1A1SMN1; SMN2
SCHEMBL8848023 0.67 APP (0.44)
SCHEMBL9597924 0.64 ELANE (0.59) ALDH1A1SMN1; SMN2
SCHEMBL7303734 0.64 PPARA (0.51) ALDH1A1
SCHEMBL4202571 0.63 KIF11 (0.45) SMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0994104-A1 ARYL (SULFIDE, SULFOXIDE AND SULFONE) DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2000-04-19 EP claimed
US-6300514-B1 INHIBITING MATRIX METALLOPROTEINASES ONO PHARMACEUTICAL CO., LTD. (JP) 2001-10-09 US disclosed
EP-0994104-A1 ARYL (SULFIDE, SULFOXIDE AND SULFONE) DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2000-04-19 EP disclosed
US-5663416-A ENZYME INHIBITORS AS ANTIINFLAMMATORY AGENTS OR DERMATITIS TREATMENT CORTECH INC. 1997-09-02 US disclosed
EP-0465802-A1 Oxidant sensitive and insensitive aromatic esters as inhibitors of human neutrophil elastase CORTECH, INC. (US) 1992-01-15 EP disclosed