SCHEMBL8097286

SCHEMBL8097286

CC[C@H](C)C(N)COC(Cc1ccccc1)C(=O)N[C@@H](CCSC)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ FNTA P49354 10/20 0.57
▸ FNTB P49356 10/20 0.57
▸ LTA4H P09960 1/20 0.52
▸ PGGT1B P53609 8/20 0.51

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 SCHEMBL8075746 0.92 ALDH1A1 (0.49) FNTAFNTBLTA4HPGGT1B
Hydrochloric Acid SCHEMBL5891855 0.88 FNTA (0.59) FNTAFNTBPGGT1B
SCHEMBL5891631 0.85 EGFR (0.67) FNTAFNTBPGGT1B
SCHEMBL6056563 0.81 FNTA (0.52) FNTAFNTBPGGT1B
SCHEMBL29732398 0.81 LTA4H (0.56) FNTAFNTBLTA4HPGGT1B
SCHEMBL6056463 0.80 FNTA (0.55) FNTAFNTBLTA4HPGGT1B
SCHEMBL6056453 0.80 FNTA (0.55) FNTAFNTBLTA4HPGGT1B
SCHEMBL6056552 0.80 FNTA (0.51) FNTAFNTBLTA4HPGGT1B
SCHEMBL6056558 0.80 FNTA (0.51) FNTAFNTBLTA4HPGGT1B
SCHEMBL30051152 0.79 FNTA (0.59) FNTAFNTBLTA4HPGGT1B

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
EP-0986302-A1 A METHOD OF TREATING CANCER Merck & Co., Inc. (US) 2000-03-22 — — EP disclosed
WO-1998054966-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 1998-12-10 — — WO disclosed
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