SCHEMBL17047883

SCHEMBL17047883

CC(C)Oc1ccc(-c2nc(COCc3ccccn3)no2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 11/20 0.45
PPARA Q07869 11/20 0.45
PPARD Q03181 9/20 0.45
NPC1 O15118 2/20 0.43
PKM P14618 2/20 0.43
RAB9A P51151 2/20 0.43
HSP90AA1 P07900 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAOB P27338 1/20 0.42
FFAR1 O14842 1/20 0.40
SYK P43405 3/20 0.40
S1PR1 P21453 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
AURKB Q96GD4 1/20 0.38
INCENP Q9NQS7 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
SCHEMBL17047951 0.82 PPARG (0.49) PPARGPPARAFFAR1SYKAURKB
SCHEMBL17047877 0.80 ACACB (0.48) NPC1RAB9AL3MBTL1KDM4EALDH1A1
SCHEMBL17047933 0.80 MAPT (0.47) PPARANPC1RAB9AL3MBTL1SYK
SCHEMBL17047868 0.78 SYK (0.38) MAOBSYKKDM4EALDH1A1SMN1; SMN2
SCHEMBL22967390 0.73 KDM4E (0.58) MAOBSYKKDM4EALDH1A1HPGD
Oxalic Acid SCHEMBL17047936 0.73 MCL1 (0.43) NPC1RAB9AMAOBKDM4EALDH1A1
SCHEMBL17047897 0.70 ERBB2 (0.40) PPARGPPARAKDM4EALDH1A1MAPT
SCHEMBL17047899 0.70 ERBB2 (0.40) PPARGPPARAKDM4EALDH1A1MAPT
SCHEMBL17047914 0.69 CYP3A4 (0.48) SYKKDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL17047850 0.68 SYK (0.53) PPARGPPARANPC1PKMRAB9A

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-2015129755-A1 NOVEL COMPOUND AND TEXTURE IMPROVER CONTAINING SAID COMPOUND 味の素株式会社 2015-09-03 WO disclosed
WO-2015129755-A1 NOVEL COMPOUND AND TEXTURE IMPROVER CONTAINING SAID COMPOUND 味の素株式会社 2015-09-03 WO disclosed