SCHEMBL16612349

SCHEMBL16612349

O=C1OC(=O)Oc2cccc3c4ccc(c23)OC(=O)OC(=O)Oc2ccc(c3cccc(c23)O1)O4

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TYMS P04818 7/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 2/20 0.35
MAPK1 P28482 1/20 0.35
ATM Q13315 1/20 0.35
PARP1 P09874 1/20 0.31
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30
CYP1A2 P05177 1/20 0.30
GLA P06280 1/20 0.30
CYP2C9 P11712 1/20 0.30
HPGD P15428 1/20 0.30
CYP2C19 P33261 1/20 0.30
SIRT1 Q96EB6 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL8026253 0.77 TYMS (0.35) TYMSMEN1POLBKMT2A
SCHEMBL4666425 0.77 ALDH1A1 (0.49) MEN1POLBKMT2AATMCYP1A2
SCHEMBL5669943 0.77 TYMS (0.36) TYMS
SCHEMBL299850 0.76 TYMS (0.59) TYMSMEN1POLBKMT2AKDM4E
SCHEMBL2591498 0.75 TYMS (0.44) TYMSMEN1POLBKMT2AKDM4E
SCHEMBL297185 0.73 TYMS (0.31) TYMS
SCHEMBL9055172 0.72 TYMS (0.38) TYMS
SCHEMBL5285168 0.71 ALOX15 (0.43) TYMSMAOAMAOB
SCHEMBL2485360 0.71 TYMS (0.36) TYMSMEN1POLBKMT2AKDM4E
SCHEMBL8548390 0.70 CES1 (0.41) TYMSMEN1POLBKMT2AKDM4E

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
EP-2692775-B1 POLYIMIDE, POLYIMIDE-BASED POLYMER ELECTROLYTE MEMBRANE, MEMBRANE- ELECTRODE ASSEMBLY, AND POLYMER ELECTROLYTE FUEL CELL NITTO DENKO CORP (JP) 2015-04-08 EP claimed