Sugi Predict

Sugi Predict / Compounds / SCHEMBL10690671

SCHEMBL10690671

SCHEMBL10690671

CC(C)CCNC(=O)CNC(=O)C(Cc1ccccc1)C(=O)NO

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 1/20 0.65
▸ MMP8 P22894 2/20 0.59
▸ LMNA P02545 1/20 0.52
▸ PKM P14618 1/20 0.52
▸ LAP3 P28838 2/20 0.52
▸ ANPEP P15144 1/20 0.52
▸ RNPEP Q9H4A4 1/20 0.52
▸ DNPEP Q9ULA0 1/20 0.52

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
SCHEMBL10686998 0.86 LAP3 (0.51) MMEMMP8LMNAPKMLAP3
SCHEMBL10691427 0.82 PKM (0.54) LMNAPKMLAP3ANPEPRNPEP
SCHEMBL10691830 0.80 MME (1.00) MMEMMP8
SCHEMBL10687449 0.78 MME (0.74) MMEMMP8
SCHEMBL4333811 0.74 CYP3A4 (0.74) LMNAPKMLAP3ANPEPRNPEP
SCHEMBL10789439 0.73 CNR1 (0.71) LMNAPKMLAP3ANPEPRNPEP
SCHEMBL7357043 0.73 MMP8 (1.00) MMEMMP8
SCHEMBL7357531 0.73 MMP8 (0.73) MMEMMP8
SCHEMBL8508475 0.73 MMP8 (0.73) MMEMMP8
SCHEMBL4909594 0.73 MMP8 (0.72) MMEMMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4738803-A ENZYME INHIBITORS ROQUES BERNARD (FR) 1988-04-19 — — US disclosed
US-4618708-A ENKEPHALINASE INHIBITOR, ANALGESICS, ANTIDEPRESSANT, ANTIDIARRHEA, OR HYPOTENSIVE AGENT ROQUES BERNARD (FR) 1986-10-21 — — US disclosed