SCHEMBL2492424

SCHEMBL2492424

O=C1C2=C(CC(O)CC2)C(=O)c2ccc(O)cc21

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 9/20 0.52
ESR1 P03372 7/20 0.52
MAOA P21397 3/20 0.52
MAOB P27338 3/20 0.52
UGT1A1 P22309 1/20 0.52
TTR P02766 1/20 0.41
MALT1 Q9UDY8 1/20 0.39
PBRM1 Q86U86 1/20 0.38
CRBN Q96SW2 1/20 0.36
PRKCI P41743 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CYP26A1 O43174 1/20 0.35
DYRK1A Q13627 1/20 0.34
BCL2 P10415 1/20 0.34
MCL1 Q07820 1/20 0.34

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
SCHEMBL2491374 0.82 MEN1 (0.39) MAOABCL2MCL1
SCHEMBL31629274 0.72 MEN1 (0.44) MAOABCL2MCL1
SCHEMBL2772476 0.71 ESR2 (1.00) ESR2ESR1MAOAMAOBUGT1A1
Anthraflavicacid SCHEMBL29985684 0.71 ESR2 (1.00) ESR2ESR1MAOAMAOBUGT1A1
Anthraflavicacid SCHEMBL124974 0.71 ESR2 (1.00) ESR2ESR1MAOAMAOBUGT1A1
Anthraflavicacid SCHEMBL31105422 0.71 ESR2 (1.00) ESR2ESR1MAOAMAOBUGT1A1
Anthraflavicacid SCHEMBL28758924 0.69 ESR2 (0.95) ESR2ESR1MAOAMAOBUGT1A1
SCHEMBL11796989 0.69 MAOB (0.39) ESR2ESR1MAOAMAOBPRKCI
SCHEMBL8899837 0.69 ESR2 (0.47) ESR2ESR1MAOAMAOBUGT1A1
SCHEMBL9283043 0.68 ESR2 (0.46) ESR2ESR1MAOAMAOBUGT1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8344167-B2 Method for producing propylene oxide SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-01-01 US disclosed
EP-2173731-B1 METHOD FOR PRODUCING PROPYLENE OXIDE SUMITOMO CHEMICAL CO (JP) 2011-10-26 EP disclosed
US-20100197946-A1 METHOD FOR PRODUCING PROPYLENE OXIDE SUMITOMO CHEMICAL COMPANY , LIMITED 2010-08-05 US disclosed
EP-2173731-A2 METHOD FOR PRODUCING PROPYLENE OXIDE Sumitomo Chemical Company, Limited (JP) 2010-04-14 EP disclosed
WO-2009008493-A2 METHOD FOR PRODUCING PROPYLENE OXIDE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-01-15 WO disclosed