SCHEMBL810209

SCHEMBL810209

C=Cc1cc(OC(C)=O)c(CCl)c2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.40
SLC22A6 Q4U2R8 1/20 0.38
KDM4E B2RXH2 5/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPT P10636 3/20 0.37
LMNA P02545 3/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
PTGS1 P23219 2/20 0.37
POLB P06746 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PTGS2 P35354 7/20 0.37
TSHR P16473 2/20 0.36
HSD17B10 Q99714 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
ESR1 P03372 1/20 0.36
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
HMGB1 P09429 1/20 0.36

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
SCHEMBL809665 0.88 KMT2A (0.36) HTTSLC22A6KDM4EMEN1KMT2A
SCHEMBL809871 0.81 L3MBTL1 (0.37) KDM4EMAPTLMNAALDH1A1ABCB1
SCHEMBL809666 0.79 ALDH1A1 (0.38) KDM4EMAPTLMNAALDH1A1HPGD
SCHEMBL809738 0.76 GAA (0.40) KMT2AMAPTALDH1A1NPSR1TDP1
SCHEMBL1088271 0.75 HTT (0.47) HTTSLC22A6KDM4EMEN1KMT2A
SCHEMBL809642 0.74 L3MBTL1 (0.38) ALDH1A1
SCHEMBL810363 0.73 L3MBTL1 (0.40) ALDH1A1
SCHEMBL809745 0.73 PTGS1 (0.51) HTTKDM4EMEN1KMT2AMAPT
SCHEMBL8613589 0.72 PTGS2 (0.41) KDM4EMEN1KMT2AMAPTLMNA
SCHEMBL3628673 0.72 HTT (0.44) HTTSLC22A6KDM4EMEN1KMT2A

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