SCHEMBL7314920

SCHEMBL7314920

Cc1ccc(CSC[C@H](NC(=O)OC(C)(C)C)C(N)=O)cc1

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 10/20 0.71
PPARG P37231 9/20 0.71
PPARD Q03181 2/20 0.60
ACE P12821 1/20 0.48
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTT P42858 1/20 0.46
MAPT P10636 4/20 0.46
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
PKM P14618 1/20 0.43
HPGD P15428 1/20 0.43
ALOX12 P18054 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL7331137 0.89 PPARA (0.89) PPARAPPARGPPARDACECYP1A2
SCHEMBL8538273 0.89 PPARA (0.89) PPARAPPARGPPARDACECYP1A2
SCHEMBL4422552 0.89 PPARA (0.89) PPARAPPARGPPARDACECYP1A2
SCHEMBL5695687 0.86 PPARA (0.70) PPARAPPARGPPARDACECYP1A2
SCHEMBL20661658 0.84 REN (0.54) PPARAPPARGACE
SCHEMBL14975662 0.84 REN (0.54) PPARAPPARGACE
SCHEMBL19033721 0.82 CTSK (0.54) PPARAPPARGPPARDALDH1A1
SCHEMBL29401779 0.81 PPARG (0.63) PPARAPPARGPPARDACEMAPT
SCHEMBL8420238 0.81 PPARG (0.66) PPARAPPARGPPARDACE
SCHEMBL3862832 0.79 PPARG (0.61) PPARAPPARGPPARDCYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5262436-A Administering; enzyme inhibitor SCHERING CORPORATION (US) 1993-11-16 US disclosed
EP-0566157-A1 Neutral metalloendopeptidase inhibitors in the treatment of hypertension SCHERING CORPORATION (US) 1993-10-20 EP disclosed
US-5061710-A Atrial natriuretic factors SCHERING CORPORATION (US) 1991-10-29 US disclosed
US-4929641-A DIURETICS, ANGIOTENSIN CONVERTING ENZYMES SCHERING CORPORATION (US) 1990-05-29 US disclosed
US-4801609-A Mercapto-acylamino acid antihypertensives SCHERING CORPORATION (US) 1989-01-31 US disclosed
EP-0254032-A2 Neutral metalloendopeptidase inhibitors in the treatment of hypertension SCHERING CORPORATION (US) 1988-01-27 EP disclosed