SCHEMBL9112898

SCHEMBL9112898

C=CCOc1ccc(C(=O)/C=C/c2ccc(OC(C)(C)C)c(OC(C)(C)C)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.56
LMNA P02545 3/20 0.56
MAPT P10636 2/20 0.56
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
MAOB P27338 5/20 0.48
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CXCL12 P48061 1/20 0.47
HPGD P15428 1/20 0.46
CYP1A1 P04798 1/20 0.46
CYP1B1 Q16678 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
SCHEMBL9112901 1.00 KDM4E (0.56) KDM4ELMNAMAPTTNFRSF1ASLC5A1
SCHEMBL9113775 0.89 KDM4E (0.50) KDM4ELMNAMAPTTNFRSF1ASLC5A1
SCHEMBL9113782 0.89 KDM4E (0.50) KDM4ELMNAMAPTTNFRSF1ASLC5A1
SCHEMBL9112502 0.88 SLC5A1 (0.50) KDM4ELMNAMAPTSLC5A1SLC5A2
SCHEMBL9113665 0.87 PTPN1 (0.53) KDM4ELMNAMAPTTNFRSF1ASLC5A1
SCHEMBL9113656 0.87 PTPN1 (0.53) KDM4ELMNAMAPTTNFRSF1ASLC5A1
SCHEMBL9112018 0.85 ABCG2 (0.63) KDM4ELMNAMAPTTNFRSF1AMEN1
SCHEMBL9112014 0.85 ABCG2 (0.63) KDM4ELMNAMAPTTNFRSF1AMEN1
SCHEMBL9113218 0.85 KDM4E (0.49) KDM4ELMNAMAPTSLC5A1SLC5A2
SCHEMBL9113211 0.85 KDM4E (0.49) KDM4ELMNAMAPTSLC5A1SLC5A2

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