SCHEMBL9067722

SCHEMBL9067722

CC[C@H](C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(=O)OC)Cc1cccc2ccccc12)NC[C@@H](N)CS

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ FNTA P49354 18/20 0.61
▸ FNTB P49356 16/20 0.61
▸ TDP1 Q9NUW8 2/20 0.44
▸ PGGT1B P53609 5/20 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
SCHEMBL9068189 1.00 FNTA (0.61) FNTAFNTBTDP1PGGT1B
SCHEMBL9068340 0.93 FNTA (0.69) FNTAFNTBTDP1PGGT1B
SCHEMBL9068288 0.93 FNTA (0.69) FNTAFNTBTDP1PGGT1B
SCHEMBL9067876 0.88 FNTA (0.55) FNTAFNTBTDP1PGGT1B
SCHEMBL9067710 0.88 FNTA (0.52) FNTAFNTBTDP1PGGT1B
SCHEMBL9067440 0.88 FNTA (0.52) FNTAFNTBTDP1PGGT1B
Hydrochloric Acid SCHEMBL8365955 0.87 FNTA (0.66) FNTAFNTB
Hydrochloric Acid SCHEMBL8369181 0.87 FNTA (0.66) FNTAFNTB
SCHEMBL7748917 0.87 FNTA (0.61) FNTAFNTB
SCHEMBL7748919 0.87 FNTA (0.61) FNTAFNTB

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-5536750-A ANTITUMOR MERCK & CO., INC. (US) 1996-07-16 — — US disclosed
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