SCHEMBL19992341

SCHEMBL19992341

CC(=O)CSCC(NC(C)C)C(N)=O

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.32
FCER2 P06734 1/20 0.32
ECE1 P42892 1/20 0.30

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
SCHEMBL12088988 0.84 FCER2 (0.31) FCER2
SCHEMBL17482325 0.82 CES2 (0.32) CES2
SCHEMBL24311675 0.81 CES2 (0.33) CES2FCER2
SCHEMBL21182206 0.81 CES2 (0.33) CES2FCER2
SCHEMBL14518627 0.81 CES2 (0.33) CES2FCER2
SCHEMBL26379468 0.81 CYP1A2 (0.31) FCER2
SCHEMBL23960483 0.81
SCHEMBL24916247 0.75 CES2 (0.36) CES2
SCHEMBL19729223 0.75 ALDH1A1 (0.42) ECE1
SCHEMBL13857594 0.74 ALDH1A1 (0.33)

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
WO-2018052002-A1 Thrombospondin 1-BINDING PEPTIDE 第一三共株式会社 2018-03-22 WO disclosed