SCHEMBL809638

SCHEMBL809638

C=C(CCC(I)C(C)C)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.39
MAOB P27338 6/20 0.39
MAPT P10636 3/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
XBP1 P17861 1/20 0.38
ATM Q13315 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL809891 0.86 MAOA (0.37) MAOAMAOBMAPTLMNASMN1; SMN2
SCHEMBL809982 0.85 MAOA (0.41) MAOAMAOBMAPTLMNASMN1; SMN2
SCHEMBL809593 0.83 SLC6A4 (0.36) MAOAMAOBMAPTLMNASMN1; SMN2
SCHEMBL1238325 0.81 MAOA (0.44) MAOAMAOBMAPTLMNASMN1; SMN2
SCHEMBL810458 0.79 MAOA (0.39) MAOAMAOBMAPTLMNASMN1; SMN2
SCHEMBL809444 0.78 MAOA (0.41) MAOAMAOBMAPTLMNASMN1; SMN2
SCHEMBL22544625 0.78 MAOA (0.46) MAOAMAOBMAPTLMNASMN1; SMN2
SCHEMBL989846 0.76 RIPK1 (0.47) MAOAMAOBSLC6A4SLC6A3
SCHEMBL5033210 0.76 MAOA (0.40) MAOAMAOBMAPTLMNASMN1; SMN2
SCHEMBL809516 0.75 MAOA (0.39) MAOAMAOBMAPTLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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