SCHEMBL7300905

SCHEMBL7300905

CC(=O)SCC1(C(=O)NCC(=O)O)Cc2ccccc2C1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MME P08473 3/20 0.64
MMP8 P22894 2/20 0.37
HDAC9 Q9UKV0 1/20 0.36
PROC P04070 2/20 0.35
F2 P00734 2/20 0.35
ITGB3 P05106 1/20 0.35
ITGB1 P05556 1/20 0.35
ITGAV P06756 1/20 0.35
ITGA5 P08648 1/20 0.35

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
SCHEMBL7303084 0.91 MME (0.57) MMEMMP8PROC
SCHEMBL7294394 0.83 MME (0.63) MMEMMP8HDAC9PROCF2
SCHEMBL7359978 0.81 MME (0.41) MMEMMP8HDAC9
SCHEMBL7301621 0.79 MME (1.00) MMEMMP8HDAC9
SCHEMBL7294378 0.75 MME (0.56) MMEPROC
SCHEMBL7291761 0.75 MME (0.39) MME
SCHEMBL7302752 0.75 ACE (0.38) MME
SCHEMBL7294105 0.73 MME (0.82) MMEMMP8HDAC9
SCHEMBL7359095 0.71 GHSR (0.34) MME
SCHEMBL7295035 0.71 ERCC1 (0.46) MMP8

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