SCHEMBL31052770

SCHEMBL31052770

CC(C)(C)CC[C@H](Nc1cccnc1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FDPS P14324 1/20 0.44
▸ EPHX2 P34913 1/20 0.44
▸ NPC1 O15118 6/20 0.43
▸ RAB9A P51151 6/20 0.43
▸ PKM P14618 1/20 0.43
▸ CFTR P13569 1/20 0.43
▸ GOPC Q9HD26 1/20 0.43
▸ GRN P28799 2/20 0.43
▸ SORT1 Q99523 2/20 0.43
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ NAMPT P43490 4/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ MEN1 O00255 1/20 0.41

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
SCHEMBL31052824 0.84 GRN (0.48) RAB9AGRNSORT1CYP2C9ALDH1A1
SCHEMBL31052820 0.83 GRN (0.45) GRNSORT1CYP2C9ALDH1A1
SCHEMBL31052871 0.83 GRN (0.45) RAB9AGRNSORT1LMNAHTT
SCHEMBL30340371 0.81 NPC1 (0.50) FDPSEPHX2NPC1RAB9APKM
SCHEMBL29416376 0.81 NPC1 (0.50) FDPSEPHX2NPC1RAB9APKM
SCHEMBL17241634 0.81 NPSR1 (0.47) ALDH1A1SMN1; SMN2
SCHEMBL4085456 0.81 NAMPT (0.46) FDPSEPHX2NPC1RAB9APKM
SCHEMBL14052936 0.80 FDPS (0.51) FDPSEPHX2NPC1RAB9APKM
SCHEMBL14053150 0.80 FDPS (0.51) FDPSEPHX2NPC1RAB9APKM
SCHEMBL30903298 0.79 LMNA (0.47) PKMCYP1A2CYP3A4CYP2D6CYP2C9

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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