SCHEMBL8202407

SCHEMBL8202407

C=CCOC[C@H](NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.51
PPARG P37231 1/20 0.49
FOLH1 Q04609 1/20 0.49
CASP1 P29466 2/20 0.48
CTSK P43235 3/20 0.48
TACR1 P25103 2/20 0.48
IDO1 P14902 1/20 0.47
TDO2 P48775 1/20 0.47
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
CTSS P25774 1/20 0.47
CTRB1 P17538 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
SCHEMBL24448342 1.00 PPARA (0.51) PPARAPPARGFOLH1CASP1CTSK
SCHEMBL8195832 0.90 KYNU (0.55) CASP1CTSKCTSLCTSBCTSS
SCHEMBL28836239 0.90 PPARA (0.57) PPARAPPARGFOLH1CASP1CTSK
SCHEMBL13613766 0.90 PPARA (0.57) PPARAPPARGFOLH1CASP1CTSK
SCHEMBL1024175 0.86 PPARA (0.64) PPARAPPARGFOLH1CASP1CTSK
SCHEMBL28595041 0.86 PPARA (0.64) PPARAPPARGFOLH1CASP1CTSK
SCHEMBL1171673 0.86 PPARA (0.64) PPARAPPARGFOLH1CASP1CTSK
SCHEMBL24459326 0.85 ATM (0.50) CTSKCTSLCTSBCTSSCTRB1
SCHEMBL924114 0.84 PPARA (0.53) PPARAPPARGCASP1CTSKTACR1
SCHEMBL21837546 0.84 PPARA (0.58) PPARAPPARGFOLH1CASP1CTSK

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
WO-2022109363-A1 NOVEL SPIROPYRROLIDINE DERIVED ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. (US) 2022-05-27 WO disclosed
EP-4001279-A1 NOVEL SPIROPYRROLIDINE DERIVED ANTIVIRAL AGENTS Enanta Pharmaceuticals, Inc. (US) 2022-05-25 EP disclosed
CN-114524821-A Novel spiropyrrolidine derived antiviral drugs 英安塔制药有限公司 2022-05-24 CN disclosed
EP-0669936-B1 MERCAPTOACETYLAMIDE BICYCLIC LACTAM DERIVATIVES USEFUL AS INHIBITORS OF ENKEPHALINASE AND ACE MERRELL PHARMA INC (US) 2000-11-22 EP disclosed
US-5635502-A ANALGESIC, HYPOTENSIVE AGENT, DIURETIC, AND USED FOR TREATMENT OF CONGESTIVE HEART FAILURE OR IRRITABLE BOWEL SYNDROME MERRELL PHARMACEUTICALS INC. (US) 1997-06-03 US disclosed