SCHEMBL1815388

SCHEMBL1815388

NC(=O)COc1cc(Cl)cc(Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
GLA P06280 1/20 0.45
GAA P10253 1/20 0.45
PDK2 Q15119 1/20 0.45
WDR5 P61964 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.42
OGG1 O15527 1/20 0.42
MAPT P10636 3/20 0.41
SOD1 P00441 1/20 0.41
CYP2C19 P33261 1/20 0.41
SCN9A Q15858 1/20 0.40
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ENPP2 Q13822 1/20 0.40

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
SCHEMBL18794840 0.83 PDK2 (0.46) ALDH1A1KDM4EPDK2SCN9AL3MBTL1
SCHEMBL9205693 0.81 WDR5 (0.70) ALDH1A1KDM4EGAAWDR5POLB
SCHEMBL12297764 0.81 SOD1 (0.46) MRGPRX4OGG1MAPTSOD1CYP2C19
SCHEMBL5274567 0.81 ALOX15 (0.54) ALDH1A1KDM4EMRGPRX4MAPT
SCHEMBL8149163 0.79 MAPT (0.46) ALDH1A1KDM4EMRGPRX4OGG1MAPT
SCHEMBL7846467 0.79 WDR5 (0.44) ALDH1A1GAAWDR5MRGPRX4OGG1
SCHEMBL1816835 0.79 SMN1; SMN2 (0.58) ALDH1A1MAPTPOLBL3MBTL1
SCHEMBL13755090 0.79 OGG1 (0.46) ALDH1A1KDM4EPDK2OGG1MAPT
SCHEMBL6462111 0.78 ALDH1A1 (0.51) ALDH1A1KDM4EGLAGAAMAPT
SCHEMBL3914534 0.77 ALDH1A1 (0.41) ALDH1A1KDM4EPDK2MAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7947712-B2 Antiarthritic agents; asthma; chronic obstructive pulminary diosrders; atherosclerosis; vision defects; hepatitis; central nervous system disorders; cardiovascular disorders; wound healing agents; restenosis; cirrhosis; multiple sclerosis; glomerulonephritis; graft versus host disease; antidiabetic agent WYETH LLC (US) 2011-05-24 US disclosed