SCHEMBL7301621

SCHEMBL7301621

O=C(O)CNC(=O)C1(CS)Cc2ccccc2C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MME P08473 4/20 1.00
MMP8 P22894 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
ALDH1A1 P00352 1/20 0.40
ACE P12821 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL7294105 0.90 MME (0.82) MMEMMP8HDAC9
SCHEMBL7300905 0.79 MME (0.64) MMEMMP8HDAC9
SCHEMBL7294394 0.77 MME (0.63) MMEMMP8HDAC9HPGD
SCHEMBL7294452 0.76 MME (0.61) MMEACE
SCHEMBL7303084 0.74 MME (0.57) MMEMMP8ACE
SCHEMBL7293970 0.73 MME (0.56) MMEMMP8MAPK1
SCHEMBL7320924 0.73 MME (0.56) MMEMMP8MAPK1
SCHEMBL7294378 0.73 MME (0.56) MME
SCHEMBL7292661 0.72 MME (0.55) MMEMMP8
SCHEMBL30492730 0.71 MMP8 (0.61) MMEMMP8HPGD

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-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