SCHEMBL11511940

SCHEMBL11511940

O=C(/C=C/C(=O)OC(=O)/C=C/C(=O)Oc1cccc2cc3ccccc3cc12)OC(=O)/C=C/C(=O)Oc1cccc2cc3ccccc3cc12.[NaH].[NaH].[NaH].[NaH]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.45
▸ HSD17B10 Q99714 5/20 0.45
▸ HPGD P15428 3/20 0.45
▸ MAPT P10636 3/20 0.45
▸ ESR1 P03372 1/20 0.43
▸ ESR2 Q92731 1/20 0.43
▸ ALDH1A1 P00352 5/20 0.41
▸ GAA P10253 3/20 0.41
▸ KMT2A Q03164 6/20 0.41
▸ MEN1 O00255 4/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ LMNA P02545 2/20 0.40
▸ HTT P42858 2/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ PGR P06401 1/20 0.39
▸ PTGS1 P23219 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ POLB P06746 3/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL561617 0.81 TYMS (0.45) KDM4EHSD17B10HPGDMAPTESR1
SCHEMBL29733364 0.80 TYMS (0.44) KDM4EHSD17B10HPGDMAPTESR1
SCHEMBL29733295 0.80 TYMS (0.44) KDM4EHSD17B10HPGDMAPTESR1
SCHEMBL29733319 0.80 TYMS (0.44) KDM4EHSD17B10HPGDMAPTESR1
SCHEMBL27722932 0.79 TYMS (0.43) KDM4EHSD17B10HPGDMAPTESR1
SCHEMBL2834574 0.79 HSD17B10 (0.59) KDM4EHSD17B10HPGDMAPTESR1
SCHEMBL11040570 0.79 HSD17B10 (0.59) KDM4EHSD17B10HPGDMAPTESR1
SCHEMBL10707682 0.79 HSD17B10 (0.59) KDM4EHSD17B10HPGDMAPTESR1
SCHEMBL29591103 0.79 ALDH1A1 (0.50) KDM4EHSD17B10HPGDMAPTALDH1A1
SCHEMBL19468524 0.79 ALDH1A1 (0.50) KDM4EHSD17B10HPGDMAPTALDH1A1

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-4162188-A IN PRESENCE OF MALEIC ACID OR ITS SODIUM OR POTASSIUM SALT, MESACONIC ACID OR ITS SODIUM SALT, OR MALEIC ANHYDRIDE HONSHU SEISHI KABUSHIKI KAISHA (JP) 1979-07-24 — — US disclosed
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