SCHEMBL9114460

SCHEMBL9114460

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

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
LMNA P02545 2/20 0.49
MAPT P10636 2/20 0.49
ALDH1A1 P00352 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
PTPN1 P18031 1/20 0.47
SLC5A1 P13866 1/20 0.45
SLC5A2 P31639 1/20 0.45
ABCG2 Q9UNQ0 3/20 0.44
MAOB P27338 8/20 0.44
MAOA P21397 1/20 0.44
FLT3 P36888 1/20 0.43
KRAS P01116 1/20 0.43
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42

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
SCHEMBL9114455 1.00 KDM4E (0.49) KDM4ELMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL9113078 0.90 PTPN1 (0.53) KDM4ELMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL9113085 0.90 PTPN1 (0.53) KDM4ELMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL9112385 0.89 MAPT (0.61) KDM4ELMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL9112383 0.89 MAPT (0.61) KDM4ELMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL9115375 0.89 ABCG2 (0.58) KDM4ELMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL9113065 0.89 KDM4E (0.60) KDM4ELMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL9115380 0.89 ABCG2 (0.58) KDM4ELMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL9113073 0.89 KDM4E (0.60) KDM4ELMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL9114048 0.89 MAPT (0.57) 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