SCHEMBL18567786

SCHEMBL18567786

CC(C)C1CCN(C(=O)[C@@H](NC(=O)NC2(CS(=O)(=O)C(C)(C)C)CCCCC2)C(C)(C)C)[C@@H]1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.30

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
SCHEMBL18567785 0.91
SCHEMBL6876647 0.83 ELANE (0.39) ELANE
SCHEMBL18400763 0.82 NR1I2 (0.42)
SCHEMBL19204604 0.82 CTSB (0.43) ELANE
SCHEMBL20610259 0.82 NR1I2 (0.42)
SCHEMBL19250965 0.82 NR1I2 (0.42)
SCHEMBL18533097 0.82 NR1I2 (0.42)
SCHEMBL18430683 0.82 CTSB (0.43) ELANE
SCHEMBL20610257 0.81 CYP3A4 (0.37)
SCHEMBL18400766 0.81 NR1I2 (0.41) ELANE

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2459525-B1 ENANTIO- AND STEREO-SPECIFIC SYNTHESES OF -AMINO- - HYDROXY AMIDES MERCK SHARP & DOHME (US) 2017-03-01 EP disclosed