SCHEMBL31467233

SCHEMBL31467233

O=C(O)CC[C@H](NC(=O)[C@@H]1CCCN1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TRHR P34981 6/20 0.43
▸ REN P00797 7/20 0.42
▸ CMA1 P23946 1/20 0.40

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
SCHEMBL30800721 0.86 TRHR (0.49) TRHRREN
SCHEMBL30631319 0.86 CTSC (0.38) REN
SCHEMBL30997447 0.86 TRHR (0.40) TRHRRENCMA1
SCHEMBL9756571 0.85 TRHR (0.57) TRHR
SCHEMBL16468931 0.85 TRHR (0.57) TRHR
SCHEMBL29641566 0.85 OPRM1 (0.43) TRHRRENCMA1
SCHEMBL29630460 0.85 TRHR (0.39) TRHRRENCMA1
SCHEMBL18048893 0.84 CTSC (0.45) TRHRREN
SCHEMBL18048894 0.84 CTSC (0.45) TRHRREN
SCHEMBL29630400 0.83 REN (0.44) TRHRREN

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-119776408-A Wheat TaCKS protein, coding gene and application of mutant sequence thereof in regulation and control of wheat grain development 河南农业大学 2025-04-08 — — CN disclosed
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