SCHEMBL9114466

SCHEMBL9114466

C=CCOc1ccc(C(=O)C=Cc2cc(OC)c(C(C)(C)C)c(OC)c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.58
LMNA P02545 2/20 0.58
MAPT P10636 2/20 0.58
ALDH1A1 P00352 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
PTPN1 P18031 2/20 0.58
KRAS P01116 2/20 0.55
FLT3 P36888 1/20 0.55
TNFRSF1A P19438 2/20 0.52
MAOB P27338 1/20 0.52
EGFR P00533 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
SLC5A1 P13866 1/20 0.51
SLC5A2 P31639 1/20 0.51
ABCG2 Q9UNQ0 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CXCL12 P48061 1/20 0.50

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
SCHEMBL9112502 0.90 SLC5A1 (0.50) KDM4ELMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL9111571 0.90 MAPT (0.57) KDM4ELMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL9115147 0.88 ABCG2 (0.56) KDM4ELMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL9114987 0.88 ABCG2 (0.56) KDM4ELMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL9240017 0.88 SLC5A1 (0.48) KDM4ELMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL9114927 0.88 SLC5A1 (0.48) KDM4ELMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL7194628 0.87 KDM4E (0.62) KDM4ELMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL7194631 0.87 KDM4E (0.62) KDM4ELMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL9113734 0.87 MAPT (0.76) KDM4ELMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL9112847 0.87 ALDH1A1 (0.63) 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