SCHEMBL7301481

SCHEMBL7301481

CC(=O)SCC1(C(=O)NC(=O)c2ccc(O)c(O)c2)CCc2ccccc2C1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 3/20 0.36
TERT O14746 1/20 0.36
MEN1 O00255 1/20 0.34
NSD2 O96028 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
GFER P55789 1/20 0.34
KMT2A Q03164 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
NAMPT P43490 1/20 0.33
PTGS2 P35354 1/20 0.33
JAK3 P52333 1/20 0.33
ALPL P05186 1/20 0.33
ALPG P10696 1/20 0.33

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
SCHEMBL7295040 0.84 NPC1 (0.45) PTGS2
SCHEMBL7296126 0.84 MME (0.43) TOP1TERTHDAC6NAMPTALPL
SCHEMBL7295035 0.82 ERCC1 (0.46)
SCHEMBL7303084 0.75 MME (0.57)
SCHEMBL7302752 0.75 ACE (0.38)
SCHEMBL7291761 0.72 MME (0.39)
SCHEMBL7295024 0.69 KMT2A (0.48) MEN1KMT2A
SCHEMBL7359978 0.68 MME (0.41) HDAC6
SCHEMBL7300905 0.66 MME (0.64)
SCHEMBL7291958 0.65 ERCC1 (0.50)

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 4 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 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
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