SCHEMBL5020136

SCHEMBL5020136

CCOC(=O)[C@H](CSC)NC(=O)CC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.49
KMT2A Q03164 2/20 0.46
POLB P06746 1/20 0.46
CYP2C9 P11712 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.43
CAD P27708 1/20 0.41
PPID Q08752 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.37
METAP2 P50579 1/20 0.37
METAP1 P53582 1/20 0.37
GAA P10253 2/20 0.35
MGAM O43451 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
SOAT1 P35610 1/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPT P10636 3/20 0.35
NOD1 Q9Y239 1/20 0.35

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
SCHEMBL18774374 0.84 L3MBTL1 (0.45) L3MBTL1KMT2APOLBCYP2C9CYP1A2
SCHEMBL19176028 0.83 CYP1A2 (0.44) L3MBTL1KMT2APOLBCYP2C9CYP1A2
SCHEMBL21554072 0.83 CYP1A2 (0.44) L3MBTL1KMT2APOLBCYP2C9CYP1A2
SCHEMBL3701798 0.83 METAP2 (0.48) L3MBTL1KMT2APOLBCYP2C9CYP1A2
SCHEMBL7619001 0.83 METAP2 (0.48) L3MBTL1KMT2APOLBCYP2C9CYP1A2
SCHEMBL13097642 0.82 L3MBTL1 (0.58) L3MBTL1KMT2APOLBCYP2C9CYP1A2
SCHEMBL5020111 0.82 CYP2C9 (0.36) L3MBTL1KMT2APOLBCYP2C9CYP1A2
SCHEMBL7620286 0.80 CYP1A2 (0.44) L3MBTL1KMT2APOLBCYP2C9CYP1A2
SCHEMBL18735063 0.80 KMT2A (0.50) L3MBTL1KMT2APOLBCYP2C9CYP1A2
SCHEMBL27733059 0.79 L3MBTL1 (0.50) L3MBTL1KMT2APOLBCYP2C9CYP1A2

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