SCHEMBL9068027

SCHEMBL9068027

CCC(C)C(CN(CC(=O)NC(CCSC)C(=O)O)Cc1ccccc1)NC[C@H](N)CS

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ FNTA P49354 11/20 0.58
▸ FNTB P49356 11/20 0.58
▸ PGGT1B P53609 5/20 0.57
▸ TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL9067918 1.00 FNTA (0.58) FNTAFNTBPGGT1BTDP1
SCHEMBL9067440 0.94 FNTA (0.52) FNTAFNTBPGGT1BTDP1
SCHEMBL9067710 0.94 FNTA (0.52) FNTAFNTBPGGT1BTDP1
SCHEMBL9067849 0.93 FNTA (0.55) FNTAFNTBPGGT1BTDP1
SCHEMBL9067430 0.89 FNTA (0.51) FNTAFNTBPGGT1BTDP1
SCHEMBL9068340 0.88 FNTA (0.69) FNTAFNTBPGGT1BTDP1
SCHEMBL9068288 0.88 FNTA (0.69) FNTAFNTBPGGT1BTDP1
SCHEMBL9068445 0.87 FNTB (0.55) FNTAFNTBPGGT1BTDP1
SCHEMBL9068050 0.86 FNTA (0.61) FNTAFNTBPGGT1B
SCHEMBL9068316 0.86 FNTA (0.61) FNTAFNTBPGGT1B

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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