SCHEMBL7297983

SCHEMBL7297983

CC(C)(C)SCC1(C(=O)O)CCc2ccccc2C1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ATM Q13315 1/20 0.34
GHSR Q92847 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SIGMAR1 Q99720 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
SCHEMBL7301300 0.90 MME (0.40) MMENPC1RAB9ASMN1; SMN2
SCHEMBL7294410 0.85 GHSR (0.36) MMEATMGHSRSMN1; SMN2MEN1
SCHEMBL7294378 0.84 MME (0.56) MMENPC1RAB9AMEN1KMT2A
SCHEMBL7303622 0.82 MME (0.43) MMENPC1RAB9AMEN1KMT2A
SCHEMBL7294424 0.82 MME (0.40) MMESMN1; SMN2
SCHEMBL7302752 0.82 ACE (0.38) MMEATMSIGMAR1
SCHEMBL7294514 0.80 TSHR (0.41) SMN1; SMN2
SCHEMBL9526683 0.79 ATM (0.41) MMEATMSMN1; SMN2SIGMAR1
SCHEMBL7295886 0.79 HTR2C (0.40) MME
SCHEMBL7291810 0.79 MME (0.42) 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 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