SCHEMBL7302528

SCHEMBL7302528

CC(C)C[C@H](NC(=O)C1(CS)CCc2ccccc2C1)C(=O)O

nearest known ligand 0.82

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.47
FNTB P49356 1/20 0.47
MME P08473 4/20 0.46
ALDH1A1 P00352 1/20 0.44
MMP1 P03956 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
SCHEMBL7294567 0.86 MME (0.57) MMEMMP1
SCHEMBL7294573 0.86 MME (0.57) MMEMMP1
SCHEMBL7302194 0.85 MMP1 (0.55) MMEMMP1
SCHEMBL7294113 0.84 ALDH1A1 (0.41) FNTAFNTBMMEALDH1A1
SCHEMBL7293268 0.84 MME (0.48) FNTAFNTBMMEALDH1A1MMP1
SCHEMBL7292661 0.75 MME (0.55) MMEMMP1
SCHEMBL7293127 0.74 FNTA (0.57) FNTAFNTBMMEALDH1A1
SCHEMBL7293136 0.74 FNTA (0.57) FNTAFNTBMMEALDH1A1
SCHEMBL7294105 0.74 MME (0.82) MME
SCHEMBL7294452 0.72 MME (0.61) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0516980-B1 Novel 2-mercaptomethylene-tetrahydronaphthalene and indane-2-carboxamide derivatives as enkephalinase inhibitors MERRELL PHARMA INC (US) 1996-04-17 EP disclosed
US-5252601-A 2-mercaptomethylene-tetrahydronaphthalene and indane-2-carboxamide derivatives as enkephalinase inhibitors MERRELL DOW PHARMACEUTICALS INC. (US) 1993-10-12 US disclosed
EP-0516980-A1 Novel 2-mercaptomethylene-tetrahydronaphthalene and indane-2-carboxamide derivatives as enkephalinase inhibitors MERRELL PHARMACEUTICALS INC. (US) 1992-12-09 EP disclosed