SCHEMBL31013883

SCHEMBL31013883

CC(C)(C)OC(=O)N1CCc2cc(O)cc(N[C@H]3CCOC3)c2C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 1/20 0.49
▸ NR1H2 P55055 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ MTOR P42345 1/20 0.36
▸ USP2 O75604 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CCR2 P41597 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ EPHX1 P07099 1/20 0.35
▸ KRAS P01116 1/20 0.34
▸ IGF1R P08069 1/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ LRRK2 Q5S007 1/20 0.34
▸ STS P08842 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
SCHEMBL31013977 0.91 ESR2 (0.42) ESR2NR1H2ALDH1A1NPC1MAPK1
SCHEMBL31013866 0.89 ALDH1A1 (0.43) ESR2NR1H2ALDH1A1MAPTCCR2
SCHEMBL30789219 0.86 ESR2 (0.39) ESR2NR1H2ALDH1A1NPC1MAPK1
SCHEMBL24913899 0.86 ESR2 (0.39) ESR2NR1H2L3MBTL1MTORLRRK2
SCHEMBL29168680 0.86 ESR2 (0.39) ESR2NR1H2ALDH1A1NPC1MAPK1
SCHEMBL24914052 0.86 HRH3 (0.41) ESR2NR1H2ALDH1A1IGF1R
SCHEMBL24913887 0.86 GPR119 (0.38) ESR2NR1H2ALDH1A1NPC1MAPK1
SCHEMBL30156900 0.86 GPR119 (0.38) ESR2NR1H2ALDH1A1NPC1MAPK1
SCHEMBL24913992 0.85 ESR2 (0.43) ESR2NR1H2ALDH1A1NPC1MAPK1
SCHEMBL24913832 0.85 ESR2 (0.43) ESR2NR1H2ALDH1A1NPC1MAPK1

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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