SCHEMBL18922014

SCHEMBL18922014

C=CC(C)(C)[C@@H](C(=O)OCc1ccccc1)N(C)C(=O)[C@@H](C)N(C)C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
SYK P43405 1/20 0.37
NTSR1 P30989 1/20 0.36
MMP13 P45452 1/20 0.35
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
ABCB1 P08183 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
SCHEMBL18921972 0.91 NPSR1 (0.44) POLBNPSR1L3MBTL1SYKMMP13
SCHEMBL18922015 0.85 POLB (0.44) POLBNPSR1L3MBTL1SYKNTSR1
SCHEMBL30878162 0.83 POLB (0.47) POLBNPSR1L3MBTL1SYKABCB1
SCHEMBL30307663 0.83 POLB (0.47) POLBNPSR1L3MBTL1SYKABCB1
SCHEMBL2499502 0.83 POLB (0.47) POLBNPSR1L3MBTL1SYKABCB1
SCHEMBL23110219 0.81 POLB (0.40) POLBNPSR1L3MBTL1SYKCTSL
SCHEMBL18921954 0.80 POLB (0.42) POLBL3MBTL1SYKNTSR1CTSL
SCHEMBL17734155 0.80 CA12 (0.31)
SCHEMBL17734157 0.79
SCHEMBL23110306 0.79 POLB (0.40) POLBL3MBTL1SYKCTSLCTSB

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
US-9669095-B2 Cyclosporin analogues for preventing or treating hepatitis C infection ENANTA PHARMACEUTICALS, INC. (US) 2017-06-06 US disclosed