SCHEMBL9113071

SCHEMBL9113071

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

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
LMNA P02545 2/20 0.48
MAPT P10636 2/20 0.48
ALDH1A1 P00352 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PTPN1 P18031 3/20 0.46
KRAS P01116 1/20 0.43
SLC5A1 P13866 1/20 0.42
SLC5A2 P31639 1/20 0.42
MAOB P27338 6/20 0.42
ABCG2 Q9UNQ0 3/20 0.41
MAOA P21397 1/20 0.41
CYP1A1 P04798 2/20 0.41
CYP1B1 Q16678 2/20 0.41
FLT3 P36888 1/20 0.41
ALOX5 P09917 1/20 0.40

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
SCHEMBL9113068 1.00 KDM4E (0.48) KDM4ELMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL9113441 0.91 PTPN1 (0.56) KDM4ELMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL9113445 0.91 PTPN1 (0.56) KDM4ELMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL9114647 0.89 ABCG2 (0.54) KDM4ELMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL9115640 0.89 ABCG2 (0.54) KDM4ELMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL9113218 0.88 KDM4E (0.49) KDM4ELMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL9113211 0.88 KDM4E (0.49) KDM4ELMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL9111709 0.86 ABCG2 (0.52) KDM4ELMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL9112972 0.86 ABCG2 (0.52) KDM4ELMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL9114573 0.85 MAPT (0.56) 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