SCHEMBL11111024

SCHEMBL11111024

CCOC(=O)[C@H](CCSC)NC(=O)CCS

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.52
POLB P06746 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.51
PPID Q08752 1/20 0.48
CYP2C9 P11712 1/20 0.43
NOD1 Q9Y239 1/20 0.43
METAP2 P50579 1/20 0.43
METAP1 P53582 1/20 0.43
FNTA P49354 3/20 0.43
FNTB P49356 3/20 0.43
PGGT1B P53609 1/20 0.43
USP2 O75604 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41

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
SCHEMBL11112148 0.89 KMT2A (0.56) KMT2APOLBL3MBTL1PPIDCYP2C9
SCHEMBL11104741 0.83 L3MBTL1 (0.55) KMT2APOLBL3MBTL1PPIDCYP2C9
SCHEMBL11108672 0.83 KMT2A (0.50) KMT2APOLBL3MBTL1PPIDCYP2C9
SCHEMBL11113309 0.81 FNTA (0.59) FNTAFNTBPGGT1BUSP2
SCHEMBL11112082 0.80 FNTA (0.48) CYP2C9NOD1FNTAFNTBPGGT1B
SCHEMBL112747 0.80 PPID (0.53) KMT2APOLBL3MBTL1PPIDCYP2C9
SCHEMBL112746 0.80 PPID (0.53) KMT2APOLBL3MBTL1PPIDCYP2C9
SCHEMBL31236279 0.79 METAP2 (0.49) KMT2APOLBL3MBTL1PPIDCYP2C9
SCHEMBL11104517 0.78 L3MBTL1 (0.50) KMT2APOLBL3MBTL1PPIDCYP2C9
SCHEMBL14519884 0.77 METAP2 (0.52) KMT2APOLBL3MBTL1PPIDCYP2C9

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
US-4460601-A Dipeptides having a methionine residue and possessing a protective action for the liver MAGGIONI FARMACEUTICI, S.P.A. (IT) 1984-07-17 US claimed