SCHEMBL20154200

SCHEMBL20154200

CCNC(C(=O)C(C)C)C(C)(C)S

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.31
MAPT P10636 1/20 0.31
PTGS1 P23219 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
SCHEMBL21374403 0.78 ALDH1A1 (0.33) ALDH1A1MAPTPTGS1
SCHEMBL20154151 0.77 ALDH1A1 (0.32) ALDH1A1MAPTPTGS1
SCHEMBL16252327 0.72 MMP3 (0.34)
SCHEMBL17328277 0.70 PGR (0.30)
SCHEMBL18435494 0.70 PGR (0.30)
SCHEMBL21216106 0.70 ALDH1A1 (0.30) ALDH1A1MAPT
SCHEMBL25533079 0.69 SMN1; SMN2 (0.32) ALDH1A1
SCHEMBL16846000 0.69 SMN1; SMN2 (0.32) ALDH1A1
SCHEMBL23084157 0.68 ACE (0.38) MAPT
SCHEMBL21207391 0.68 ACE (0.38) MAPT

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-2018089648-A2 DI-SULFIDE CONTAINING CELL PENETRATING PEPTIDES AND METHODS OF MAKING AND USING THEREOF OHIO STATE INNOVATION FOUNDATION (US) 2018-05-17 WO disclosed