SCHEMBL810463

SCHEMBL810463

C=C(CCCCl)c1ccc(OC)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
NR1I2 O75469 1/20 0.44
PDE4B Q07343 1/20 0.44
ALDH1A1 P00352 3/20 0.43
LMNA P02545 2/20 0.43
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ESR1 P03372 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP2C19 P33261 1/20 0.43
ADRA1A P35348 1/20 0.43
HIF1A Q16665 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CES2 O00748 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
SCHEMBL31618944 0.84 MAPT (0.46) MAPTMAOAMAOBNR1I2PDE4B
SCHEMBL9336832 0.84 NR1I2 (0.50) MAPTMAOAMAOBNR1I2PDE4B
SCHEMBL8862087 0.82 ALDH1A1 (0.45) MAPTMAOAMAOBNR1I2PDE4B
SCHEMBL809790 0.82 MAPT (0.44) MAPTMAOAMAOBNR1I2PDE4B
SCHEMBL16795750 0.81 MAPT (0.50) MAPTMAOAMAOBNR1I2ALDH1A1
SCHEMBL17682001 0.81 NR1I2 (0.47) MAPTMAOAMAOBNR1I2ALDH1A1
SCHEMBL809696 0.79 KMT2A (0.37) MAOAMAOBALDH1A1LMNAHPGD
SCHEMBL29054318 0.79 MAPT (0.48) MAPTMAOAMAOBNR1I2PDE4B
SCHEMBL4089172 0.79 PDE4B (0.71) MAPTPDE4BALDH1A1LMNAGSK3B
SCHEMBL319315 0.79 PDE4B (0.70) MAPTPDE4BALDH1A1CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3138841-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE Altos Therapeutics, LLC (US) 2017-03-08 EP disclosed
WO-2012015977-A3 HIGHLY PORTABLE AND STABLE WORK STATION HERSCHLER MATTHEW B (US) 2012-05-10 WO disclosed
EP-2192645-B1 SEPARATION MEMBRANE FOR DIRECT LIQUID FUEL CELL AND METHOD FOR PRODUCING THE SAME TOKUYAMA CORP (JP) 2011-11-30 EP disclosed
US-20110250525-A1 SEPARATION MEMBRANE FOR DIRECT LIQUID FUEL CELL AND METHOD FOR PRODUCING THE SAME TOKUYAMA CORPORATION (JP) 2011-10-13 US disclosed
EP-2192645-A1 SEPARATION MEMBRANE FOR DIRECT LIQUID FUEL CELL AND METHOD FOR PRODUCING THE SAME Tokuyama Corporation (JP) 2010-06-02 EP disclosed