SCHEMBL31052763

SCHEMBL31052763

Cc1cnc(N[C@@H](CCC(C)(C)C)C(=O)O)cn1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GRN P28799 4/20 0.42
▸ SORT1 Q99523 4/20 0.42
▸ NOTUM Q6P988 1/20 0.35
▸ SYK P43405 1/20 0.34
▸ PYGL P06737 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ HCAR3 P49019 3/20 0.31
▸ HCAR2 Q8TDS4 1/20 0.31
▸ ITGB1 P05556 1/20 0.31
▸ ITGA4 P13612 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ RIPK1 Q13546 1/20 0.30

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
SCHEMBL31052827 0.84 GRN (0.47) GRNSORT1HCAR3ITGB1ITGA4
SCHEMBL31052861 0.81 GRN (0.42) GRNSORT1ALDH1A1
SCHEMBL31052825 0.80 SORT1 (0.44) GRNSORT1PYGLCYP2C9ITGB1
SCHEMBL31052826 0.80 GRN (0.41) GRNSORT1PYGLCYP2C9ITGB1
SCHEMBL31052821 0.77 GRN (0.44) GRNSORT1PYGLCYP2C9ITGB1
SCHEMBL31052857 0.76 PSMB5 (0.39) GRNSORT1ALDH1A1
SCHEMBL31052764 0.76 KDM4E (0.48) GRNSORT1PYGLCYP2C9ALDH1A1
SCHEMBL31052820 0.75 GRN (0.45) GRNSORT1PYGLCYP2C9HCAR2
SCHEMBL31052773 0.75 GRN (0.46) GRNSORT1ALDH1A1
SCHEMBL31052801 0.74 GRN (0.46) GRNSORT1PYGLCYP2C9RIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4676914-A1 MODULATORS OF SORTILIN ACTIVITY Vesper Bio Aps (DK) 2026-01-14 — — EP claimed
WO-2024184469-A1 MODULATORS OF SORTILIN ACTIVITY VESPER BIO APS (DK) 2024-09-12 — — WO claimed
EP-4428121-A1 MODULATORS OF SORTILIN ACTIVITY Vesper Bio Aps (DK) 2024-09-11 — — EP claimed
EP-4676914-A1 MODULATORS OF SORTILIN ACTIVITY Vesper Bio Aps (DK) 2026-01-14 — — EP disclosed
WO-2024184469-A1 MODULATORS OF SORTILIN ACTIVITY VESPER BIO APS (DK) 2024-09-12 — — WO disclosed
EP-4428121-A1 MODULATORS OF SORTILIN ACTIVITY Vesper Bio Aps (DK) 2024-09-11 — — EP disclosed
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