SCHEMBL18921972

SCHEMBL18921972

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

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 4/20 0.43
SYK P43405 1/20 0.41
POLB P06746 1/20 0.40
ALDH1A1 P00352 3/20 0.39
MMP13 P45452 1/20 0.39
ABCB1 P08183 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
F13A1 P00488 1/20 0.37
TGM2 P21980 1/20 0.37
TGM1 P22735 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
NCOR2 Q9Y618 1/20 0.36

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
SCHEMBL18922014 0.91 POLB (0.41) NPSR1L3MBTL1SYKPOLBMMP13
SCHEMBL30307663 0.81 POLB (0.47) NPSR1L3MBTL1SYKPOLBALDH1A1
SCHEMBL30878162 0.81 POLB (0.47) NPSR1L3MBTL1SYKPOLBALDH1A1
SCHEMBL2499502 0.81 POLB (0.47) NPSR1L3MBTL1SYKPOLBALDH1A1
SCHEMBL28380577 0.78 HDAC3 (0.41) L3MBTL1SYKPOLBALDH1A1ABCB1
SCHEMBL18256544 0.78 ABCB1 (0.40) L3MBTL1SYKPOLBALDH1A1ABCB1
SCHEMBL18248117 0.78 ABCB1 (0.40) L3MBTL1SYKPOLBALDH1A1ABCB1
SCHEMBL21447938 0.78 ABCB1 (0.40) L3MBTL1SYKPOLBALDH1A1ABCB1
SCHEMBL25203184 0.78 POLB (0.45) NPSR1L3MBTL1SYKPOLBALDH1A1
SCHEMBL19393967 0.78 POLB (0.45) NPSR1L3MBTL1SYKPOLBALDH1A1

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