SCHEMBL3070798

SCHEMBL3070798

OC(CCc1ccccc1)c1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.50
PPARA Q07869 3/20 0.50
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
CNR2 P34972 2/20 0.47
HTR1A P08908 1/20 0.47
CNR1 P21554 1/20 0.47
UTS2R Q9UKP6 1/20 0.44
SLC6A9 P48067 1/20 0.43
SLC6A5 Q9Y345 1/20 0.43
AOC3 Q16853 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
ACP3 P15309 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL30849665 1.00 PPARG (0.50) PPARGPPARAKMT2AMEN1SLC6A2
SCHEMBL30849673 0.93 PPARG (0.51) PPARGPPARAKMT2AMEN1SLC6A2
SCHEMBL11119802 0.90 AOC3 (0.47) PPARGPPARAKMT2AMEN1CNR2
SCHEMBL936318 0.90 PPARG (0.50) PPARGPPARASLC6A2SLC6A4SLC6A3
SCHEMBL499868 0.86 PPARG (0.54) PPARGPPARASLC6A2SLC6A4SLC6A3
SCHEMBL5835025 0.86 PPARG (0.54) PPARGPPARASLC6A2SLC6A4SLC6A3
SCHEMBL477470 0.86 PPARG (0.54) PPARGPPARASLC6A2SLC6A4SLC6A3
SCHEMBL13232175 0.85 RAB9A (0.50) PPARGPPARAKMT2AMEN1SLC6A2
SCHEMBL30849683 0.85 RAB9A (0.50) PPARGPPARAKMT2AMEN1SLC6A2
SCHEMBL29861111 0.85 MMP12 (0.50) PPARGPPARASLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112262139-B Aminopyrrolotriazines as kinase inhibitors 百时美施贵宝公司 2023-07-25 CN disclosed
US-7795166-B2 Functional group-selective hydrogenation catalyst and functional group-selective hydrogenation method N.E. CHEMCAT CORPORATION (JP) 2010-09-14 US disclosed
US-20070155617-A1 FUNCTIONAL GROUP-SELECTIVE HYDROGENATION CATALYST AND FUNCTIONAL GROUP-SELECTIVE HYDROGENATION METHOD N. E. CHEMCAT CORPORATION (JP) 2007-07-05 US disclosed