SCHEMBL810130

SCHEMBL810130

C=C(CC(Cl)CC)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.41
MAOB P27338 6/20 0.41
LMNA P02545 3/20 0.38
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ATM Q13315 2/20 0.36
XBP1 P17861 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL810448 0.81 MAOA (0.39) MAOAMAOBLMNAMAPTSMN1; SMN2
SCHEMBL5039219 0.80 MAOA (0.44) MAOAMAOBLMNAMAPTSMN1; SMN2
SCHEMBL810094 0.80 MAOA (0.44) MAOAMAOBLMNAMAPTSMN1; SMN2
SCHEMBL7056365 0.78 MAOA (0.42) MAOAMAOBLMNAMAPTSMN1; SMN2
SCHEMBL5033521 0.78 MAOA (0.42) MAOAMAOBLMNAMAPTSMN1; SMN2
SCHEMBL810275 0.77 MAOA (0.41) MAOAMAOBLMNAMAPTSMN1; SMN2
SCHEMBL5195513 0.77 TSHR (0.55) LMNAMAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL6547220 0.76 LMNA (0.44) MAOAMAOBLMNAMAPTSMN1; SMN2
SCHEMBL535991 0.75 MAOA (0.47) MAOAMAOBLMNAMAPTSMN1; SMN2
SCHEMBL25443654 0.74 MAOA (0.42) MAOAMAOBLMNAMAPTSMN1; 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