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SCHEMBL31065007

SCHEMBL31065007

CC(C)[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)O)C(C)C

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAGI3 Q5TCQ9 1/20 0.52
▸ CTSC P53634 1/20 0.51
▸ KISS1R Q969F8 5/20 0.51
▸ IL23R Q5VWK5 3/20 0.49
▸ GHSR Q92847 1/20 0.49
▸ ACE P12821 2/20 0.49
▸ ECE1 P42892 2/20 0.49
▸ MC4R P32245 2/20 0.48

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
SCHEMBL30148436 0.98 MAGI3 (0.53) MAGI3CTSCKISS1RIL23RGHSR
SCHEMBL30945413 0.98 MAGI3 (0.53) MAGI3CTSCKISS1RIL23RGHSR
SCHEMBL30305641 0.98 MAGI3 (0.53) MAGI3CTSCKISS1RIL23RGHSR
SCHEMBL31286295 0.96 GHSR (0.55) IL23RGHSR
SCHEMBL30138631 0.96 GHSR (0.55) IL23RGHSR
SCHEMBL30138559 0.96 GHSR (0.55) IL23RGHSR
SCHEMBL31286297 0.96 GHSR (0.55) IL23RGHSR
SCHEMBL30339793 0.95 IL23R (0.51) MAGI3CTSCKISS1RIL23RGHSR
SCHEMBL30093123 0.95 IL23R (0.51) MAGI3CTSCKISS1RIL23RGHSR
SCHEMBL29732261 0.95 IL23R (0.51) MAGI3CTSCKISS1RIL23RGHSR

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
CN-118581102-A Corn aspergillus flavus resistance gene ZmAFR, expression product, excellent haplotype and application thereof in corn breeding 河南农业大学 2024-09-03 — — CN disclosed
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