SCHEMBL809798

SCHEMBL809798

C=Cc1cccc(CCl)c1OC(C)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.38
KDM4E B2RXH2 3/20 0.36
MAPK1 P28482 3/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
LMNA P02545 3/20 0.36
CYP3A4 P08684 1/20 0.36
BACE1 P56817 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
MAPT P10636 3/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
POLB P06746 1/20 0.33
ALOX12 P18054 1/20 0.33
NCOA1 Q15788 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33

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
SCHEMBL27589909 0.82 GABRA1 (0.41) ACHEKDM4EMAPK1ALDH1A1HPGD
SCHEMBL5183325 0.80 ALDH1A1 (0.46) KDM4EMAPK1ALDH1A1HPGDHSD17B10
SCHEMBL8613589 0.79 PTGS2 (0.41) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL809654 0.79 PTGS2 (0.40) ACHEKDM4EMAPK1ALDH1A1HPGD
SCHEMBL809675 0.79 ALDH1A1 (0.36) KDM4EALDH1A1CYP3A4MEN1KMT2A
SCHEMBL3916235 0.78 KDM4E (0.56) ACHEKDM4EMAPK1ALDH1A1HPGD
SCHEMBL2918517 0.78 MAPK1 (0.56) ACHEKDM4EMAPK1ALDH1A1HPGD
SCHEMBL8626853 0.78 CA1 (0.46) KDM4EMAPK1ALDH1A1HPGDHSD17B10
SCHEMBL28713479 0.76 KDM4E (0.39) ACHEKDM4EMAPK1ALDH1A1HPGD
SCHEMBL15656116 0.75 KDM4E (0.61) KDM4EMAPK1ALDH1A1HPGDHSD17B10

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