SCHEMBL6719946

SCHEMBL6719946

O=C1OC(=O)c2c1cc1c3c(cccc23)C(=O)OC1=O

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TYMS P04818 11/20 0.55
ALOX15 P16050 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
CES1 P23141 1/20 0.36
ALOX5 P09917 1/20 0.35
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
CASP1 P29466 1/20 0.33
HIF1A Q16665 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL9352408 0.89 TYMS (0.47) TYMSALOX15TDP1CES1ALDH1A1
SCHEMBL9079633 0.84 TYMS (0.50) TYMSALOX15TDP1MEN1KMT2A
SCHEMBL11423045 0.78 TYMS (0.51) TYMSALOX15TDP1MEN1KMT2A
SCHEMBL10267341 0.77 TYMS (0.70) TYMSALOX15TDP1MEN1POLB
SCHEMBL16447298 0.77 TYMS (0.39) TYMSALOX15TDP1MEN1POLB
SCHEMBL9041820 0.76 ALDH1A1 (0.63) TYMSALOX15TDP1CES1ALDH1A1
SCHEMBL15119565 0.75 ALDH1A1 (0.41) TYMSALOX15MEN1POLBKMT2A
SCHEMBL7709692 0.74 TYMS (0.51) TYMSALOX15TDP1MEN1POLB
SCHEMBL7709794 0.74 TYMS (0.66) TYMSALOX15TDP1POLBALDH1A1
SCHEMBL14380347 0.74 TYMS (0.51) TYMSALOX15TDP1MEN1POLB

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
US-20070106057-A1 Polyimide resin, method of producing polyimide resin, and electrolyte membrane, catalyst layer, membrane/electrode assembly and device each containing polyimide resin YAMANASHI, UNIVERSITY OF (JP) 2007-05-10 US disclosed
US-20070106057-A1 Polyimide resin, method of producing polyimide resin, and electrolyte membrane, catalyst layer, membrane/electrode assembly and device each containing polyimide resin YAMANASHI, UNIVERSITY OF (JP) 2007-05-10 US disclosed
US-6810181-B2 LAYER OF A FLUORINE-CONTAINING POLYIMIDE AND A LAYER OF A FLUORINE-FREE RESIN IS INTERPOSED BETWEEN THE POLYIMIDE LAYER AND THE ELECTRODE HITACHI CHEMICAL CO., LTD. (JP) 2004-10-26 US disclosed
US-20040096161-A1 Electrode structure HITACHI CHEMICAL CO., LTD. (JP) 2004-05-20 US disclosed