SCHEMBL31052875

SCHEMBL31052875

CC(C)(C)CC[C@H](Nc1cc(Oc2ccccc2)ncn1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRN P28799 2/20 0.57
▸ SORT1 Q99523 2/20 0.57
▸ ITGB1 P05556 1/20 0.52
▸ ITGA4 P13612 1/20 0.52
▸ KDR P35968 6/20 0.47
▸ TNNI3K Q59H18 6/20 0.47
▸ BRAF P15056 5/20 0.43
▸ MAPK14 Q16539 5/20 0.43
▸ MAP2K7 O14733 5/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ MAPT P10636 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ CSF1R P07333 1/20 0.40
▸ PDGFRB P09619 1/20 0.40
▸ KIT P10721 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
SCHEMBL31052822 0.86 GRN (0.42) GRNSORT1ITGB1ITGA4CYP2C19
SCHEMBL31052839 0.80 GRN (0.57) GRNSORT1ITGB1ITGA4BRAF
SCHEMBL31052825 0.78 SORT1 (0.44) GRNSORT1ITGB1ITGA4SMN1; SMN2
SCHEMBL27165513 0.76 GRN (0.55) GRNSORT1
SCHEMBL27165674 0.76 GRN (0.55) GRNSORT1
SCHEMBL31052773 0.74 GRN (0.46) GRNSORT1NPC1RAB9ASMN1; SMN2
SCHEMBL31052775 0.74 GRN (0.52) GRNSORT1RAB9ASMN1; SMN2RECQL
SCHEMBL31052893 0.73 ITGAV (0.44) GRNSORT1KDRCYP2C9
SCHEMBL25273962 0.72 SORT1 (1.00) GRNSORT1CYP2C9
SCHEMBL31601087 0.72 GRN (0.67) GRNSORT1

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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