SCHEMBL28558742

SCHEMBL28558742

CSCC[C@@H](C(=O)OC(=O)C(F)(F)F)N(C(=O)CN)C(=O)[C@H](Cc1ccccc1)NC(=O)CN

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 1/20 0.38
▸ ANPEP P15144 1/20 0.38
▸ LTA4H P09960 1/20 0.36
▸ FNTA P49354 1/20 0.35
▸ FNTB P49356 1/20 0.35
▸ ACE P12821 1/20 0.35
▸ ECE1 P42892 1/20 0.35
▸ TACR3 P29371 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ CTRB1 P17538 1/20 0.35

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
SCHEMBL28569722 0.78 CTSC (0.48) ACEECE1POLBCTRB1
SCHEMBL23630170 0.77 QRFPR (0.45) MMEANPEPLTA4HPOLB
SCHEMBL28555237 0.73 ACE (0.40) LTA4HFNTAFNTBACETACR3
SCHEMBL29051005 0.70 ACE (0.41) ACE
SCHEMBL30051473 0.69 LTA4H (0.64) LTA4HFNTAFNTB
SCHEMBL30050877 0.69 LTA4H (0.60) MMEANPEPLTA4HFNTAFNTB
SCHEMBL11309774 0.68 MME (0.50) MMEANPEPLTA4HFNTAFNTB
SCHEMBL11225559 0.68 LTA4H (0.54) LTA4H
Trifluoroacetic Acid SCHEMBL31139218 0.68 ACE (0.63) MMEACEECE1
Trifluoroacetic Acid SCHEMBL28569723 0.68 ACE (0.63) MMEACEECE1

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
CN-112714649-B Cyclic dinucleotide derivatives and antibody drug conjugates thereof 第一三共株式会社 2024-07-02 — — CN disclosed
CN-112714649-A Novel cyclic dinucleotide derivatives and antibody drug conjugates thereof 第一三共株式会社 2021-04-27 — — CN disclosed
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