SCHEMBL4779940

SCHEMBL4779940

COc1ccc2cc(-c3ccc(N4SCCC4(O)O)cc3)n(C(=O)OC(C)(C)C)c2c1

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 20/20 0.49
NR1H3 Q13133 3/20 0.41

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
SCHEMBL17220690 0.79 NR1H2 (0.62) NR1H2NR1H3
SCHEMBL980771 0.76 NR1H2 (0.49) NR1H2NR1H3
SCHEMBL980772 0.76 NR1H2 (0.49) NR1H2NR1H3
SCHEMBL2884571 0.75 NR1H2 (0.52) NR1H2NR1H3
SCHEMBL2879585 0.74 NPC1 (0.51) NR1H2NR1H3
SCHEMBL17220650 0.73 NR1H2 (0.75) NR1H2NR1H3
SCHEMBL10095926 0.72 NR1H2 (0.57) NR1H2NR1H3
SCHEMBL24077249 0.72 NR1H2 (0.46) NR1H2NR1H3
SCHEMBL2886539 0.71 NR1H2 (0.50) NR1H2NR1H3
SCHEMBL10095928 0.70 NR1H2 (0.51) NR1H2NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1984332-A2 METHODS FOR TREATING HEPATITIS C PTC Therapeutics, Inc. (US) 2008-10-29 EP disclosed
EP-1979315-A2 METHODS FOR TREATING HEPATITIS C PTC Therapeutics, Inc. (US) 2008-10-15 EP disclosed
WO-2007084413-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 WO disclosed
WO-2007084435-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 WO disclosed