SCHEMBL18649396

SCHEMBL18649396

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

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
CA12 O43570 1/20 0.31
CA14 Q9ULX7 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL790105 0.87 TSHR (0.39) TSHRCA12CA14SMN1; SMN2
SCHEMBL790359 0.87 TSHR (0.39) TSHRCA12CA14SMN1; SMN2
SCHEMBL790024 0.87 TSHR (0.39) TSHRCA12CA14SMN1; SMN2
SCHEMBL19764851 0.81 TSHR (0.37) TSHRCA12
SCHEMBL784283 0.73 TSHR (0.42) TSHRCA12CA14SMN1; SMN2
SCHEMBL784245 0.73 TSHR (0.42) TSHRCA12CA14SMN1; SMN2
SCHEMBL25504658 0.73 TSHR (0.42) TSHRCA12CA14SMN1; SMN2
SCHEMBL784179 0.73 TSHR (0.42) TSHRCA12CA14SMN1; SMN2
SCHEMBL22503374 0.72
SCHEMBL18879824 0.72

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-9598457-B2 Substituted nucleosides, nucleotides and analogs thereof ALIOS BIOPHARMA, INC. (US) 2017-03-21 US disclosed