SCHEMBL12475159

SCHEMBL12475159

CC(C)C(NC(=O)CCCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](N)CC(=O)O

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSD P07339 16/20 0.76
CASP1 P29466 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL12475157 1.00 CTSD (0.76) CTSDCASP1SMN1; SMN2
SCHEMBL17770727 0.86 CTSD (1.00) CTSD
SCHEMBL19281154 0.86 CTSD (1.00) CTSD
SCHEMBL17758210 0.79 CTSD (0.77) CTSD
SCHEMBL17758206 0.79 CTSD (0.77) CTSD
SCHEMBL17758209 0.79 CTSD (0.77) CTSD
SCHEMBL12475257 0.78 CTSD (0.80) CTSD
SCHEMBL12475255 0.78 CTSD (0.80) CTSD
SCHEMBL16296098 0.78 CTSD (0.78) CTSD
SCHEMBL20725223 0.78 CTSD (0.78) CTSD

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-2673287-B1 AMINO STATIN DERIVATIVES FOR THE TREATMENT OF ARTHROSIS MERCK PATENT GMBH (DE) 2017-08-30 EP claimed
EP-2673287-A1 AMINO STATIN DERIVATIVES FOR THE TREATMENT OF ARTHROSIS Merck Patent GmbH (DE) 2013-12-18 EP claimed
WO-2012107153-A1 AMINO STATIN DERIVATIVESFOR THE TREATMENT OF ARTHROSIS MERCK PATENT GMBH (DE) 2012-08-16 WO claimed
EP-2673287-B1 AMINO STATIN DERIVATIVES FOR THE TREATMENT OF ARTHROSIS MERCK PATENT GMBH (DE) 2017-08-30 EP disclosed
EP-2673287-A1 AMINO STATIN DERIVATIVES FOR THE TREATMENT OF ARTHROSIS Merck Patent GmbH (DE) 2013-12-18 EP disclosed
WO-2012107153-A1 AMINO STATIN DERIVATIVESFOR THE TREATMENT OF ARTHROSIS MERCK PATENT GMBH (DE) 2012-08-16 WO disclosed