SCHEMBL7293268

SCHEMBL7293268

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

nearest known ligand 0.75

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MME P08473 3/20 0.48
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.41
MMP1 P03956 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39

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 0.88 MME (0.57) MMEMMP1
SCHEMBL7294573 0.88 MME (0.57) MMEMMP1
SCHEMBL7302528 0.84 FNTA (0.47) MMEALDH1A1MMP1FNTAFNTB
SCHEMBL7294514 0.83 TSHR (0.41) ALDH1A1POLBALOX15TSHRFNTA
SCHEMBL7302194 0.80 MMP1 (0.55) MMEMMP1
SCHEMBL7292661 0.77 MME (0.55) MMEMMP1
SCHEMBL7294105 0.76 MME (0.82) MME
SCHEMBL7294452 0.74 MME (0.61) MME
Bicarbonate SCHEMBL7323197 0.71 MME (0.48) MMEPOLBMMP1TSHR
SCHEMBL7294424 0.71 MME (0.40) 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 6 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 claimed
US-5252601-A 2-mercaptomethylene-tetrahydronaphthalene and indane-2-carboxamide derivatives as enkephalinase inhibitors MERRELL DOW PHARMACEUTICALS INC. (US) 1993-10-12 US claimed
EP-0516980-A1 Novel 2-mercaptomethylene-tetrahydronaphthalene and indane-2-carboxamide derivatives as enkephalinase inhibitors MERRELL PHARMACEUTICALS INC. (US) 1992-12-09 EP claimed
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