SCHEMBL20154129

SCHEMBL20154129

CC(CC(C)(C)S)C(N)=O

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
PTGS1 P23219 1/20 0.34
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
ENPEP Q07075 2/20 0.30
GABRR1 P24046 2/20 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
SCHEMBL12867359 0.80 CA1 (0.33) CA1CA2GABRR1
SCHEMBL8963 0.80 CA1 (0.33) CA1CA2GABRR1
SCHEMBL10164157 0.80 CA1 (0.33) CA1CA2GABRR1
SCHEMBL14321927 0.78 PIK3CD (0.34) ALDH1A1CA1CA2GABRR1
SCHEMBL25098364 0.76 CA1 (0.31) CA1CA2GABRR1
SCHEMBL15672770 0.74 CA1 (0.34) CA1CA2
SCHEMBL8621952 0.74 CA1 (0.30) CA1CA2
SCHEMBL24040298 0.74
SCHEMBL14423719 0.74 ALDH1A1 (0.33) ALDH1A1MAPTPTGS1CA1CA2
SCHEMBL5960708 0.73 EPHX1 (0.34) GABRR1

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