SCHEMBL28555237

SCHEMBL28555237

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

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 1/20 0.40
▸ QRFPR Q96P65 3/20 0.39
▸ FNTA P49354 4/20 0.38
▸ FNTB P49356 4/20 0.38
▸ CCKBR P32239 1/20 0.38
▸ LTA4H P09960 1/20 0.38
▸ CTSS P25774 2/20 0.38
▸ CTSL P07711 1/20 0.38
▸ CTSB P07858 1/20 0.38
▸ CTSK P43235 1/20 0.38
▸ TACR3 P29371 1/20 0.38
▸ REN P00797 1/20 0.37
▸ PGGT1B P53609 3/20 0.37

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
SCHEMBL14050069 0.90 OPRD1 (0.43) FNTAFNTBPGGT1B
SCHEMBL27606645 0.78 ACE (0.43) ACEQRFPRCTSSCTSLCTSB
SCHEMBL25336408 0.76 MAPT (0.52) ACECTSSCTSLCTSBCTSK
SCHEMBL25336411 0.76 MAPT (0.52) ACECTSSCTSLCTSBCTSK
SCHEMBL5507650 0.76 LTA4H (0.58) QRFPRFNTAFNTBLTA4HPGGT1B
SCHEMBL29051005 0.74 ACE (0.41) ACECTSSCTSLCTSBCTSK
Trifluoroacetic Acid SCHEMBL23630169 0.74 LTA4H (0.53) QRFPRFNTAFNTBLTA4HPGGT1B
Trifluoroacetic Acid SCHEMBL23630172 0.74 LTA4H (0.53) QRFPRFNTAFNTBLTA4HPGGT1B
SCHEMBL24191455 0.74 CTSS (0.55) ACEQRFPRCTSSCTSLCTSB
SCHEMBL28558742 0.73 MME (0.38) ACEFNTAFNTBLTA4HTACR3

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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