SCHEMBL6651925

SCHEMBL6651925

O=C(O)C=CC(=O)OC[C@H]1CN(C(=O)Oc2ccccc2)CC[C@@H]1c1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 1/20 0.43
▸ GAA P10253 3/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ FAAH O00519 4/20 0.40
▸ RAB9A P51151 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ PDE4B Q07343 1/20 0.38
▸ KDM1A O60341 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37

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
SCHEMBL6660305 0.93 GAA (0.42) ALOX15GAAFAAHRAB9ANPC1
SCHEMBL6652212 0.85 ALOX15 (0.44) ALOX15GAAFAAHRAB9ANPC1
SCHEMBL6652567 0.85 ALOX15 (0.44) ALOX15GAAFAAHRAB9ANPC1
SCHEMBL6651888 0.84 ALOX15 (0.43) ALOX15GAAFAAHRAB9ANPC1
SCHEMBL6654149 0.84 ALOX15 (0.43) ALOX15GAAFAAHRAB9ANPC1
SCHEMBL6660462 0.83 GAA (0.43) ALOX15GAAFAAHRAB9ANPC1
SCHEMBL6660484 0.83 ALOX15 (0.43) ALOX15GAAFAAHRAB9ANPC1
SCHEMBL6656505 0.83 ALOX15 (0.43) ALOX15GAAFAAHRAB9ANPC1
SCHEMBL6654147 0.83 ALOX15 (0.43) ALOX15GAAFAAHRAB9ANPC1
SCHEMBL7025914 0.83 ALOX15 (0.50) ALOX15GAAMEN1KMT2AFAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1431287-A1 Optically pure paroxetine precursos Astur-Pharma, S.A. (ES) 2004-06-23 — — EP disclosed
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