SCHEMBL31013977

SCHEMBL31013977

CC(C)(C)OC(=O)N1Cc2cc(O)cc(N[C@H]3CCOC3)c2C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ DDB1 Q16531 3/20 0.37
▸ CRBN Q96SW2 3/20 0.37
▸ HDAC1 Q13547 1/20 0.36
▸ CCR2 P41597 1/20 0.35
▸ USP2 O75604 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ EPHX1 P07099 1/20 0.34
▸ NR1H2 P55055 1/20 0.34
▸ NAMPT P43490 2/20 0.34
▸ USP30 Q70CQ3 1/20 0.34
▸ PIK3CA P42336 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
SCHEMBL31013883 0.91 ESR2 (0.49) ESR2ALDH1A1NPC1MAPTMAPK1
SCHEMBL31013845 0.88 ALDH1A1 (0.43) ALDH1A1DDB1CRBNHDAC1CCR2
SCHEMBL31014020 0.87 NAMPT (0.36) ESR2ALDH1A1NPC1MAPTMAPK1
SCHEMBL31013871 0.87 HDAC1 (0.40) ESR2ALDH1A1NPC1MAPTMAPK1
SCHEMBL31013938 0.87 USP30 (0.36) ESR2ALDH1A1NPC1MAPTMAPK1
SCHEMBL31013959 0.85 GPR119 (0.38) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL24914237 0.84 DDB1 (0.48) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL31013893 0.84 DDB1 (0.48) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL31014094 0.84 DDB1 (0.48) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL30368078 0.84 DDB1 (0.48) ALDH1A1NPC1MAPTMAPK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4651955-A1 INHIBITOR COMPOUNDS Neophore Limited (GB) 2025-11-26 — — EP disclosed
WO-2024153947-A1 INHIBITOR COMPOUNDS Neophore Limited (GB) 2024-07-25 — — WO disclosed
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