SCHEMBL31052822

SCHEMBL31052822

COc1cc(N[C@@H](CCC(C)(C)C)C(=O)O)ncn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRN P28799 3/20 0.42
▸ SORT1 Q99523 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.38
▸ ITGB1 P05556 3/20 0.37
▸ ITGA4 P13612 3/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ CYP2C19 P33261 1/20 0.36
▸ NPC1 O15118 3/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ TP53 P04637 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ STAT1 P42224 1/20 0.36
▸ HDAC1 Q13547 1/20 0.35
▸ FAAH O00519 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ TAAR1 Q96RJ0 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL31052875 0.86 GRN (0.57) GRNSORT1ALDH1A1ITGB1ITGA4
SCHEMBL31052825 0.84 SORT1 (0.44) GRNSORT1ALDH1A1ITGB1ITGA4
SCHEMBL31052828 0.81 PTGDR (0.43) GRNSORT1ALDH1A1SMN1; SMN2CYP2C19
SCHEMBL31052827 0.81 GRN (0.47) GRNSORT1ALDH1A1ITGB1ITGA4
SCHEMBL31052831 0.77 GRN (0.42) GRNSORT1ALDH1A1ITGB1ITGA4
SCHEMBL31052893 0.76 ITGAV (0.44) GRNSORT1KDM4EITGAVITGB6
SCHEMBL31052846 0.75 PTGDR (0.41) GRNSORT1ITGB1ITGA4ITGAV
SCHEMBL31052776 0.74 GRN (0.46) GRNSORT1ALDH1A1ITGB1ITGA4
SCHEMBL31052874 0.73 GRN (0.43) GRNSORT1ITGB1ITGA4ITGAV
SCHEMBL31052820 0.72 GRN (0.45) GRNSORT1ALDH1A1ITGB1ITGA4

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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