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Sugi Predict / Compounds / SCHEMBL9060165

SCHEMBL9060165

SCHEMBL9060165

CC[C@H](C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(=O)O)Cc1cccc2ccccc12)NC(=O)Cc1cncn1Cc1ccc2ccccc2c1.CC[C@H](C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(=O)OC)Cc1cccc2ccccc12)NC(=O)Cc1cncn1Cc1ccc2ccccc2c1

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ FNTA P49354 19/20 0.62
▸ FNTB P49356 19/20 0.62

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
SCHEMBL9068133 0.99 FNTA (0.61) FNTAFNTB
SCHEMBL8763050 0.98 FNTA (0.59) FNTAFNTB
SCHEMBL8763043 0.96 FNTA (0.67) FNTAFNTB
SCHEMBL9060561 0.95 FNTA (0.58) FNTAFNTB
SCHEMBL9058050 0.93 FNTA (0.56) FNTAFNTB
SCHEMBL8763284 0.93 FNTA (0.58) FNTAFNTB
SCHEMBL8865645 0.93 FNTA (0.61) FNTAFNTB
SCHEMBL8763006 0.92 FNTA (0.59) FNTAFNTB
SCHEMBL8762235 0.92 FNTA (0.64) FNTAFNTB
SCHEMBL8865579 0.92 FNTA (0.71) 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
WO-1996010034-A2 THIOL-FREE INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1996-04-04 — — WO claimed