SCHEMBL3454634

SCHEMBL3454634

O=[C]OC12CC3CC(C1)C(=O)C(C3)C2

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.44
TSHR P16473 1/20 0.44
EPHX2 P34913 2/20 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
SCHEMBL8863 0.81 NPSR1 (0.43) NPSR1TSHREPHX2
SCHEMBL5093329 0.79 NPSR1 (0.49) NPSR1TSHREPHX2
SCHEMBL18845034 0.76 NPSR1 (0.46) NPSR1TSHREPHX2
SCHEMBL15037951 0.76 NPSR1 (0.46) NPSR1TSHREPHX2
SCHEMBL1397649 0.76 NPSR1 (0.46) NPSR1TSHREPHX2
SCHEMBL13005842 0.74 NPSR1 (0.49) NPSR1TSHREPHX2
SCHEMBL15037932 0.74 TSHR (0.56) NPSR1TSHREPHX2
SCHEMBL8584936 0.73 NPSR1 (0.44) NPSR1TSHREPHX2
SCHEMBL4340777 0.72 NPSR1 (0.47) NPSR1TSHREPHX2
SCHEMBL1156342 0.72 TSHR (0.43) NPSR1TSHREPHX2

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-20100151380-A1 RESIST COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-17 US disclosed