SCHEMBL8648595

SCHEMBL8648595

N#C/C(=C\c1ccc(C(F)(F)F)cc1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.59
MAPT P10636 5/20 0.59
ALDH1A1 P00352 5/20 0.59
MAPK1 P28482 2/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
TP53 P04637 1/20 0.54
GAA P10253 1/20 0.54
ESR1 P03372 2/20 0.53
ESR2 Q92731 2/20 0.53
NPC1 O15118 5/20 0.52
LMNA P02545 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
KDM4E B2RXH2 2/20 0.50
HPGD P15428 1/20 0.50
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PTGS1 P23219 2/20 0.43
NQO2 P16083 2/20 0.43
PTGS2 P35354 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL8648597 1.00 RAB9A (0.59) RAB9AMAPTALDH1A1MAPK1L3MBTL1
SCHEMBL24236835 0.92 ESR1 (0.62) RAB9AMAPTALDH1A1MAPK1L3MBTL1
SCHEMBL248048 0.92 ESR1 (0.62) RAB9AMAPTALDH1A1MAPK1L3MBTL1
SCHEMBL21517807 0.92 ESR1 (0.62) RAB9AMAPTALDH1A1MAPK1L3MBTL1
SCHEMBL3432101 0.87 ESR1 (0.57) RAB9AMAPTALDH1A1MAPK1L3MBTL1
SCHEMBL21517824 0.87 ESR1 (0.57) RAB9AMAPTALDH1A1MAPK1L3MBTL1
SCHEMBL3433649 0.87 ESR1 (0.57) RAB9AMAPTALDH1A1MAPK1L3MBTL1
SCHEMBL10050783 0.87 ESR1 (0.57) RAB9AMAPTALDH1A1MAPK1L3MBTL1
SCHEMBL10050780 0.87 ESR1 (0.57) RAB9AMAPTALDH1A1MAPK1L3MBTL1
SCHEMBL3430746 0.87 ESR1 (0.57) RAB9AMAPTALDH1A1MAPK1L3MBTL1

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
WO-2013072390-A2 STILBENE COMPOUNDS AS PPAR BETA/DELTA INHIBITORS FOR TREATING PPAR BETA/DELTA TRANSMITTED ILLNESSES PHILIPPS-UNIVERSITÄT MARBURG (DE) 2013-05-23 WO disclosed
WO-2013072390-A2 STILBENE COMPOUNDS AS PPAR BETA/DELTA INHIBITORS FOR TREATING PPAR BETA/DELTA TRANSMITTED ILLNESSES PHILIPPS-UNIVERSITÄT MARBURG (DE) 2013-05-23 WO disclosed
US-5792568-A SUBSTRATE HAVING STACKED LAYERS OF POSITIVE ELECTRODE, HOLE-INJECTED CARRIER LAYER COMPRISING BIS-ENAMINE COMPOUND, LUMINESCENT LAYER, NEGATIVE ELECTRODE SHARP KABUSHIKI KAISHA (JP) 1998-08-11 US disclosed