SCHEMBL30128547

SCHEMBL30128547

CCCC[C@H](NC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PLG P00747 2/20 0.47
▸ PRSS1 P07477 2/20 0.47
▸ PRSS2 P07478 2/20 0.47
▸ PRSS3 P35030 2/20 0.47
▸ TPSAB1 Q15661 2/20 0.47
▸ F2 P00734 1/20 0.47
▸ PIN1 Q13526 1/20 0.47
▸ APLNR P35414 3/20 0.46
▸ NMUR2 Q9GZQ4 6/20 0.44
▸ NMUR1 Q9HB89 6/20 0.44
▸ FOLH1 Q04609 2/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ GHSR Q92847 1/20 0.42

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
SCHEMBL6176082 0.89 RAMP3 (0.54) NMUR2NMUR1
SCHEMBL6176075 0.84 RAMP3 (0.52) APLNR
SCHEMBL30716923 0.81 NMUR2 (0.51) APLNRNMUR2NMUR1
SCHEMBL30716922 0.81 NMUR2 (0.51) APLNRNMUR2NMUR1
SCHEMBL29841738 0.81 F2 (0.48) F2APLNRNMUR2NMUR1
SCHEMBL27508582 0.81 APLNR (0.51) F2APLNRNMUR2NMUR1
SCHEMBL38657767 0.79 NMUR2 (0.47) F2APLNRNMUR2NMUR1
SCHEMBL29662094 0.79 OPRM1 (0.46) F2APLNRNMUR2NMUR1
SCHEMBL29488298 0.79 OPRM1 (0.46) F2APLNRNMUR2NMUR1
SCHEMBL31399622 0.79 NRP1 (0.49) F2NMUR2NMUR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12128086-B2 Formulations and methods of use for alpha connexin c-terminal (ACT) peptides XEQUEL BIO, INC. (US) 2024-10-29 — — US disclosed
US-20230263857-A1 FORMULATIONS AND METHODS OF USE FOR ALPHA CONNEXIN C-TERMINAL (ACT) PEPTIDES XEQUEL BIO, INC. 2023-08-24 — — US disclosed
US-11524049-B2 Formulations and methods of use for alpha connexin c-terminal (ACT) peptides XEQUEL BIO, INC. (US) 2022-12-13 — — US disclosed
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