SCHEMBL9112339

SCHEMBL9112339

C=CCOc1ccc(C(=O)C=Cc2ccc(OC(C)C)c(OC(C)C)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.56
LMNA P02545 3/20 0.56
MAPT P10636 2/20 0.56
PDE4A P27815 1/20 0.55
PDE4B Q07343 1/20 0.55
PDE4C Q08493 1/20 0.55
PDE4D Q08499 1/20 0.55
TNFRSF1A P19438 1/20 0.52
SLC5A1 P13866 1/20 0.51
SLC5A2 P31639 1/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
ABCG2 Q9UNQ0 3/20 0.50
PTPN1 P18031 1/20 0.50
FLT3 P36888 1/20 0.49
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CXCL12 P48061 1/20 0.47
MAOB P27338 3/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL9112335 1.00 KDM4E (0.56) KDM4ELMNAMAPTPDE4APDE4B
SCHEMBL9115822 0.90 KDM4E (0.51) KDM4ELMNAMAPTPDE4APDE4B
SCHEMBL9115832 0.90 KDM4E (0.51) KDM4ELMNAMAPTPDE4APDE4B
SCHEMBL9113085 0.87 PTPN1 (0.53) KDM4ELMNAMAPTPDE4APDE4B
SCHEMBL9113078 0.87 PTPN1 (0.53) KDM4ELMNAMAPTPDE4APDE4B
SCHEMBL9114927 0.86 SLC5A1 (0.48) KDM4ELMNAMAPTSLC5A1SLC5A2
SCHEMBL9240017 0.86 SLC5A1 (0.48) KDM4ELMNAMAPTSLC5A1SLC5A2
SCHEMBL9113111 0.85 ABCG2 (0.63) KDM4ELMNAMAPTPDE4APDE4B
SCHEMBL9113383 0.85 ABCG2 (0.63) KDM4ELMNAMAPTPDE4APDE4B
SCHEMBL7183738 0.85 PTPN1 (0.59) KDM4ELMNAMAPTABCG2PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995006628-A1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES OR BACTERIA STATENS SERUMINSTITUT (DK) 1995-03-09 WO claimed
WO-1995006628-A1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES OR BACTERIA STATENS SERUMINSTITUT (DK) 1995-03-09 WO disclosed