SCHEMBL22092145

SCHEMBL22092145

C/C(=N\OCc1ccc(S(C)(=O)=O)cc1)c1cccc(OCC(=O)O)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 10/20 0.48
PPARA Q07869 9/20 0.48
CA12 O43570 4/20 0.48
CA1 P00915 4/20 0.48
CA2 P00918 4/20 0.48
CA4 P22748 4/20 0.48
CA9 Q16790 4/20 0.48
NPC1 O15118 3/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAOB P27338 2/20 0.44

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
SCHEMBL22092146 1.00 PPARG (0.48) PPARGPPARACA12CA1CA2
SCHEMBL29451165 0.90 PPARG (0.45) PPARGPPARANPC1RAB9ASMN1; SMN2
SCHEMBL22092143 0.87 NPC1 (0.51) PPARGPPARANPC1RAB9ASMN1; SMN2
SCHEMBL22092142 0.87 NPC1 (0.51) PPARGPPARANPC1RAB9ASMN1; SMN2
SCHEMBL22092156 0.86 MAOB (0.59) PPARGPPARACA12CA1CA2
SCHEMBL22092152 0.86 PPARG (0.59) PPARGPPARANPC1RAB9ASMN1; SMN2
SCHEMBL22092178 0.86 MAOB (0.59) PPARGPPARANPC1RAB9ASMN1; SMN2
SCHEMBL22092151 0.86 PPARG (0.59) PPARGPPARANPC1RAB9ASMN1; SMN2
SCHEMBL22092176 0.86 MAOB (0.59) PPARGPPARANPC1RAB9ASMN1; SMN2
SCHEMBL22092155 0.86 MAOB (0.59) PPARGPPARACA12CA1CA2

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
WO-2020122380-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION OR TREATMENT OF CIRCADIAN RHYTHM-RELATED DISORDERS, COMPRISING OXYIMINOMETHYLBENZENE DERIVATIVE AS ACTIVE INGREDIENT 고려대학교 산학협력단 2020-06-18 WO claimed
WO-2020122380-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION OR TREATMENT OF CIRCADIAN RHYTHM-RELATED DISORDERS, COMPRISING OXYIMINOMETHYLBENZENE DERIVATIVE AS ACTIVE INGREDIENT 고려대학교 산학협력단 2020-06-18 WO disclosed