SCHEMBL6578337

SCHEMBL6578337

CN(C)c1ccc(CSC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.62
PPARA Q07869 9/20 0.62
PPARD Q03181 2/20 0.58
CTSS P25774 6/20 0.50
CTSK P43235 5/20 0.50
CTSB P07858 2/20 0.50
ACE P12821 1/20 0.50
CTSL P07711 1/20 0.50
F7 P08709 1/20 0.47

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
SCHEMBL8420238 0.89 PPARG (0.66) PPARGPPARAPPARDCTSSCTSK
SCHEMBL6578263 0.85 PPARA (0.60) PPARGPPARAPPARDCTSSCTSK
SCHEMBL6574106 0.85 PPARA (0.73) PPARGPPARAPPARDACE
SCHEMBL6575413 0.85 PPARA (0.73) PPARGPPARAPPARDACE
SCHEMBL14091963 0.83 CTSS (0.60) PPARGPPARAPPARDCTSSCTSK
SCHEMBL3575636 0.82 PPARG (0.63) PPARGPPARAPPARDCTSSCTSK
SCHEMBL5353573 0.82 PPARG (0.69) PPARGPPARAPPARDCTSSCTSK
SCHEMBL5356337 0.82 CACNA1B (0.46) PPARGPPARAPPARDCTSSCTSK
SCHEMBL5522229 0.81 CTSS (0.75) PPARGPPARAPPARDCTSSCTSK
SCHEMBL14210087 0.79 CACNA1B (0.47) PPARGPPARAPPARDCTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0870762-B1 NOVEL AMINO ACID DERIVATIVES HAVING N,N-DIALKYLAMINOPHENYL GROUP SANTEN PHARMACEUTICAL CO LTD (JP) 2004-04-28 EP disclosed
US-5872281-A COMPOUNDS FOR TREATMENT OF RHEUMATIC DISEASES, PSORIASIS, INTESTINAL INFLAMATION SANTEN PHARMACEUTICAL CO., LTD. (JP) 1999-02-16 US disclosed
EP-0870762-A1 NOVEL AMINO ACID DERIVATIVES HAVING N,N-DIALKYLAMINOPHENYL GROUP SANTEN PHARMACEUTICAL CO., LTD. (JP) 1998-10-14 EP disclosed