SCHEMBL19996539

SCHEMBL19996539

CC(=O)Sc1nc[nH]c1C[C@@H](C(=O)[O-])[N+](C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.42
ALPL P05186 1/20 0.42
ALPG P10696 1/20 0.42
SLC22A4 Q9H015 1/20 0.42
GAA P10253 1/20 0.40

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
SCHEMBL17308656 0.88 CYP2C19 (0.32) POLBALPLALPG
SCHEMBL19996547 0.88 POLB (0.45) POLBALPLALPGSLC22A4GAA
SCHEMBL19996541 0.83 POLB (0.49) POLBALPLALPGSLC22A4GAA
SCHEMBL19996546 0.83 POLB (0.49) POLBALPLALPGSLC22A4GAA
SCHEMBL19996544 0.78 POLB (0.46) POLBALPLALPGSLC22A4GAA
SCHEMBL17308681 0.75 CYP2C19 (0.34) POLBALPLALPGSLC22A4
SCHEMBL17308674 0.72 CYP2C19 (0.32)
SCHEMBL17308675 0.72 SMN1; SMN2 (0.34)
SCHEMBL19085618 0.72 CYP1A2 (0.33)
SCHEMBL19499944 0.71 POLB (0.45) POLBALPLALPGSLC22A4GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9926300-B2 5-acylsulfanyl-histidine compounds as precursors of the corresponding 5-sulfanylhistidines and their disulfides TETRAHEDRON (FR) 2018-03-27 US disclosed
US-9926300-B2 5-acylsulfanyl-histidine compounds as precursors of the corresponding 5-sulfanylhistidines and their disulfides TETRAHEDRON (FR) 2018-03-27 US disclosed