SCHEMBL7294113

SCHEMBL7294113

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

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
CTSL P07711 2/20 0.38
GRN P28799 1/20 0.38
SORT1 Q99523 1/20 0.38
GAA P10253 1/20 0.38
MME P08473 1/20 0.38

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
SCHEMBL7291810 0.88 MME (0.42) ALDH1A1MME
SCHEMBL7294424 0.87 MME (0.40) MME
SCHEMBL7294514 0.85 TSHR (0.41) ALDH1A1FNTAFNTBGAA
SCHEMBL7302528 0.84 FNTA (0.47) ALDH1A1FNTAFNTBMME
SCHEMBL7297983 0.79 MME (0.36) MME
SCHEMBL7294378 0.78 MME (0.56) MME
SCHEMBL7303622 0.77 MME (0.43) MME
SCHEMBL7294410 0.76 GHSR (0.36) ALDH1A1MME
SCHEMBL7295886 0.73 HTR2C (0.40) ALDH1A1MME
SCHEMBL7292554 0.73 ALDH1A1 (0.38) ALDH1A1GAAMME

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