SCHEMBL9113065

SCHEMBL9113065

C=CCOc1ccc(C(=O)/C=C/c2cc(OC)c(CCC)c(OC)c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.60
LMNA P02545 2/20 0.60
MAPT P10636 2/20 0.60
ALDH1A1 P00352 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
PTPN1 P18031 3/20 0.57
KRAS P01116 2/20 0.54
MAOB P27338 1/20 0.51
TNFRSF1A P19438 1/20 0.51
FLT3 P36888 1/20 0.51
SLC5A1 P13866 1/20 0.50
SLC5A2 P31639 1/20 0.50
MCL1 Q07820 1/20 0.49
CXCL12 P48061 1/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ABCG2 Q9UNQ0 2/20 0.49
EGFR P00533 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48

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
SCHEMBL9113073 1.00 KDM4E (0.60) KDM4ELMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL7196525 0.94 KDM4E (0.58) KDM4ELMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL7196528 0.94 KDM4E (0.58) KDM4ELMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL7197301 0.92 KDM4E (0.56) KDM4ELMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL7197297 0.92 KDM4E (0.56) KDM4ELMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL9114048 0.91 MAPT (0.57) KDM4ELMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL9114046 0.91 MAPT (0.57) KDM4ELMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL9113196 0.90 ABCG2 (0.54) KDM4ELMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL9113828 0.90 ABCG2 (0.54) KDM4ELMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL9113961 0.89 PTPN1 (0.64) KDM4ELMNAMAPTALDH1A1SMN1; SMN2

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