SCHEMBL5020110

SCHEMBL5020110

CCC(=O)N[C@@H](CSC)C(=O)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.48
TACR1 P25103 1/20 0.48
GAA P10253 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 1/20 0.48
MME P08473 1/20 0.47
ANPEP P15144 1/20 0.47
ACE P12821 1/20 0.47
MBTPS1 Q14703 1/20 0.46
ALDH1A1 P00352 1/20 0.45
PSMB5 P28074 1/20 0.43
CTSK P43235 2/20 0.42
CASP1 P29466 1/20 0.42

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
SCHEMBL3697165 0.87 TACR1 (0.44) POLBTACR1GAARAB9AKMT2A
SCHEMBL5020063 0.87 TACR1 (0.44) POLBTACR1GAARAB9AKMT2A
SCHEMBL13296315 0.86 TACR1 (0.64) POLBTACR1KMT2AACEMBTPS1
SCHEMBL13050803 0.86 GAA (0.50) POLBTACR1GAARAB9AKMT2A
SCHEMBL11940464 0.86 CASP1 (0.52) POLBTACR1GAARAB9AKMT2A
SCHEMBL7612584 0.85 HDAC3 (0.51) POLBTACR1GAARAB9AKMT2A
SCHEMBL25491959 0.83 MMP9 (0.51) POLBTACR1GAARAB9AKMT2A
SCHEMBL14601755 0.82 ALDH1A1 (0.50) POLBTACR1RAB9AKMT2AMME
SCHEMBL25492010 0.82 ABCB1 (0.47) POLBTACR1GAARAB9AKMT2A
SCHEMBL11940461 0.82 POLB (0.51) POLBTACR1GAARAB9AKMT2A

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-2012065102-A2 S-T-BUTYL PROTECTED CYSTEINE DI-PEPTIDE ANALOGS AND RELATED COMPOUNDS PROMENTIS PHARMACEUTICALS, INC. (US) 2012-05-18 WO disclosed