SCHEMBL31013949

SCHEMBL31013949

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

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 1/20 0.38
▸ NR1H2 P55055 1/20 0.37
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ STS P08842 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ GPR119 Q8TDV5 5/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.34
▸ MTOR P42345 1/20 0.33
▸ PRMT5 O14744 1/20 0.33
▸ WDR77 Q9BQA1 1/20 0.33
▸ GPR6 P46095 2/20 0.33
▸ KCNH2 Q12809 2/20 0.33
▸ MMP13 P45452 2/20 0.33
▸ MAPT P10636 1/20 0.33

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
SCHEMBL31013913 0.92 STS (0.35) CA12CA1CA2CA9STS
SCHEMBL31013866 0.89 ALDH1A1 (0.43) ESR2NR1H2STSALDH1A1HRH3
SCHEMBL24914052 0.85 HRH3 (0.41) ESR2NR1H2ALDH1A1GPR119HRH3
SCHEMBL31013883 0.85 ESR2 (0.49) ESR2NR1H2STSALDH1A1MTOR
SCHEMBL30156745 0.83 GPR119 (0.38) ESR2NR1H2ALDH1A1GPR119HRH3
SCHEMBL24913918 0.83 GPR119 (0.38) ESR2NR1H2ALDH1A1GPR119HRH3
SCHEMBL31014038 0.83 GPR119 (0.38) ESR2NR1H2ALDH1A1GPR119HRH3
SCHEMBL24913899 0.81 ESR2 (0.39) ESR2NR1H2MTOR
SCHEMBL30789219 0.81 ESR2 (0.39) ESR2NR1H2ALDH1A1GPR119MTOR
SCHEMBL29168680 0.81 ESR2 (0.39) ESR2NR1H2ALDH1A1GPR119MTOR

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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