SCHEMBL9727304

SCHEMBL9727304

COc1ccc(CSC[C@H](NC(=O)OC(C)(C)C)C(=O)OC(=O)[C@H](CSCc2ccc(OC)cc2)NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.72
PPARA Q07869 9/20 0.72
PPARD Q03181 2/20 0.57
ACE P12821 2/20 0.52
CACNA1B Q00975 3/20 0.52
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HTT P42858 1/20 0.47
ALDH1A1 P00352 3/20 0.47
MAPT P10636 2/20 0.47
FNTA P49354 1/20 0.46
FNTB P49356 1/20 0.46
LMNA P02545 1/20 0.44

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
SCHEMBL1277840 0.94 PPARG (0.74) PPARGPPARAPPARDACECACNA1B
SCHEMBL3031211 0.94 PPARG (0.74) PPARGPPARAPPARDACECACNA1B
SCHEMBL1277844 0.94 PPARG (0.74) PPARGPPARAPPARDACECACNA1B
SCHEMBL11331399 0.89 PPARA (0.89) PPARGPPARAPPARDACE
SCHEMBL1278177 0.89 PPARA (0.89) PPARGPPARAPPARDACE
SCHEMBL1278179 0.89 PPARA (0.89) PPARGPPARAPPARDACE
SCHEMBL5353573 0.85 PPARG (0.69) PPARGPPARAPPARDACECACNA1B
SCHEMBL5352848 0.84 CACNA1B (0.66) PPARGPPARAPPARDACECACNA1B
SCHEMBL1277753 0.82 PPARG (0.65) PPARGPPARAPPARDACECACNA1B
SCHEMBL3032276 0.82 PPARG (0.64) PPARGPPARAPPARDACECACNA1B

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
US-5171837-A Treatment of autoimmune diseases KURARAY CO., LTD. (JP) 1992-12-15 US disclosed
US-5132402-A Immobilized peptide which binds to human antibody to nicotinic acetylcholine receptor AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 1992-07-21 US disclosed
EP-0426857-A1 PEPTIDE AND ADSORBENT COMPRISING SAME IMMOBILIZED ON CARRIER KURARAY CO., LTD. (JP) 1991-05-15 EP disclosed
US-4889917-A TREATMENT OF MYASTHENIA GRAVIS AGENCY OF INDUSTRIAL SCIENCE TECHNOLOGY, MINISTRY OF INTERNATIONAL TRADE & INDUSTRY (JP) 1989-12-26 US disclosed
EP-0318240-A2 Peptide, adsorbent, method for production thereof, and method for use thereof AGENCY OF INDUSTRIAL SCIENCE & TECHNOLOGY MINISTRY OF INTERNATIONAL TRADE & INDUSTRY (JP) 1989-05-31 EP disclosed