SCHEMBL9555358

SCHEMBL9555358

CC[C@H](C)[C@H](N)C(=O)N[C@@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCSC)C(=O)OC

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.48
FNTA P49354 3/20 0.45
FNTB P49356 3/20 0.45
HTT P42858 1/20 0.44
CASP1 P29466 1/20 0.43
MME P08473 1/20 0.42
ANPEP P15144 1/20 0.42
USP2 O75604 1/20 0.41
PPID Q08752 1/20 0.40
GAA P10253 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
IL1RN P18510 1/20 0.39
ERAP2 Q6P179 1/20 0.39
HPGD P15428 1/20 0.39

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
Hydrochloric Acid SCHEMBL8865857 0.89 MME (0.51) L3MBTL1FNTAFNTBMMEANPEP
SCHEMBL8333462 0.84 L3MBTL1 (0.48) L3MBTL1FNTAFNTBHTTCASP1
SCHEMBL8333460 0.84 L3MBTL1 (0.48) L3MBTL1FNTAFNTBHTTCASP1
SCHEMBL9555329 0.83 MME (0.53) FNTAFNTBMMEANPEPPPID
SCHEMBL9555177 0.83 MME (0.53) FNTAFNTBMMEANPEPPPID
Hydrochloric Acid SCHEMBL9555452 0.82 MME (0.52) FNTAFNTBMMEANPEPPPID
SCHEMBL9555216 0.82 MME (0.62) FNTAFNTBMMEANPEP
Hydrochloric Acid SCHEMBL9555453 0.82 MME (0.52) FNTAFNTBMMEANPEPPPID
SCHEMBL9555215 0.82 MME (0.62) FNTAFNTBMMEANPEP
SCHEMBL29732398 0.81 LTA4H (0.56) FNTAFNTBMME

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5238922-A Anticancer agents MERCK & CO., INC. (US) 1993-08-24 US disclosed
EP-0535731-A2 Inhibitors of farnesyl protein transferase MERCK & CO. INC. (US) 1993-04-07 EP disclosed