SCHEMBL9725019

SCHEMBL9725019

CSCCC(NC(=O)C(CS)Cc1ccccc1)C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.73
FNTA P49354 6/20 0.70
FNTB P49356 6/20 0.70
PGGT1B P53609 6/20 0.70
MME P08473 2/20 0.68

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
SCHEMBL11121207 1.00 LTA4H (0.73) LTA4HFNTAFNTBPGGT1BMME
SCHEMBL7319165 1.00 LTA4H (0.73) LTA4HFNTAFNTBPGGT1BMME
SCHEMBL7319170 1.00 LTA4H (0.73) LTA4HFNTAFNTBPGGT1BMME
SCHEMBL7319175 1.00 LTA4H (0.73) LTA4HFNTAFNTBPGGT1BMME
SCHEMBL7445517 0.90 FNTA (0.71) LTA4HFNTAFNTBPGGT1B
SCHEMBL7445523 0.90 FNTA (0.71) LTA4HFNTAFNTBPGGT1B
SCHEMBL7327334 0.90 FNTA (0.62) LTA4HFNTAFNTBPGGT1BMME
SCHEMBL7447698 0.90 FNTA (0.62) LTA4HFNTAFNTBPGGT1BMME
SCHEMBL11241067 0.89 FNTA (0.60) LTA4HFNTAFNTBPGGT1BMME
SCHEMBL7325439 0.88 MME (0.73) MME

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-5098934-A Enkephalinase inhibitors as analgesics or anticargcinogenic agents ROUSSEL UCLAF (FR) 1992-03-24 US disclosed
US-4567198-A Ethanethioates and mercaptoamides and use thereof as analgesic and enkephalinase inhibitory compounds ROUSSEL UCLAF (FR) 1986-01-28 US disclosed
US-4432972-A HYPOTENSIVE AGENTS, KANALGESICS, AND ANGIOTENSIN AND ENKEPHALIN INHIBITION E. R. SQUIBB & SONS, INC. (US) 1984-02-21 US disclosed
EP-0066956-A1 Enkephalinase enzyme inhibiting compounds PFIZER INC. (US) 1982-12-15 EP disclosed
US-4329495-A USEFUL AS ANALGESICS OR ANTICONVULSANTS, CHIRAL 2-(2-BENZYL-3-MERCAPTOPROPIONYLAMINO)-THIOBUTYRIC ACIDS, OR ALKANOL DERIVATIVES PFIZER INC. (US) 1982-05-11 US disclosed