SCHEMBL6652212

SCHEMBL6652212

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

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.44
GAA P10253 2/20 0.42
FAAH O00519 4/20 0.41
KDM1A O60341 1/20 0.41
MAOB P27338 1/20 0.41
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PDE4B Q07343 1/20 0.39
PPARG P37231 2/20 0.38
PPARA Q07869 1/20 0.38

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
SCHEMBL6652567 1.00 ALOX15 (0.44) ALOX15GAAFAAHKDM1AMAOB
SCHEMBL6660462 0.92 GAA (0.43) ALOX15GAAFAAHKDM1AMAOB
SCHEMBL6654149 0.91 ALOX15 (0.43) ALOX15GAAFAAHKDM1AMAOB
SCHEMBL6651888 0.91 ALOX15 (0.43) ALOX15GAAFAAHKDM1AMAOB
SCHEMBL6654147 0.90 ALOX15 (0.43) ALOX15GAAFAAHKDM1AMAOB
SCHEMBL6660484 0.90 ALOX15 (0.43) ALOX15GAAFAAHKDM1AMAOB
SCHEMBL6651494 0.90 ALOX15 (0.42) ALOX15GAAFAAHKDM1AMAOB
SCHEMBL6652181 0.90 GAA (0.42) ALOX15GAAFAAHKDM1AMAOB
SCHEMBL6656848 0.90 ALOX15 (0.42) ALOX15GAAFAAHKDM1AMAOB
SCHEMBL6654193 0.90 GAA (0.42) ALOX15GAAFAAHKDM1AMAOB

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