SCHEMBL9113085

SCHEMBL9113085

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

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 6/20 0.53
KDM4E B2RXH2 3/20 0.48
LMNA P02545 2/20 0.48
MAPT P10636 2/20 0.48
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
SLC5A1 P13866 1/20 0.47
SLC5A2 P31639 1/20 0.47
FLT3 P36888 1/20 0.45
KRAS P01116 1/20 0.45
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
MAOB P27338 3/20 0.43
MAOA P21397 1/20 0.43
HPGD P15428 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.42
TNFRSF1A P19438 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
SCHEMBL9113078 1.00 PTPN1 (0.53) PTPN1KDM4ELMNAMAPTALDH1A1
SCHEMBL9115084 0.92 MAPT (0.59) PTPN1KDM4ELMNAMAPTALDH1A1
SCHEMBL9115822 0.90 KDM4E (0.51) PTPN1KDM4ELMNAMAPTALDH1A1
SCHEMBL9115832 0.90 KDM4E (0.51) PTPN1KDM4ELMNAMAPTALDH1A1
SCHEMBL9114460 0.90 KDM4E (0.49) PTPN1KDM4ELMNAMAPTALDH1A1
SCHEMBL9241047 0.90 ABCG2 (0.55) PTPN1KDM4ELMNAMAPTALDH1A1
SCHEMBL9114455 0.90 KDM4E (0.49) PTPN1KDM4ELMNAMAPTALDH1A1
SCHEMBL9115462 0.89 KRAS (0.58) PTPN1KDM4ELMNAMAPTALDH1A1
SCHEMBL9115467 0.89 KRAS (0.58) PTPN1KDM4ELMNAMAPTALDH1A1
SCHEMBL9112093 0.89 PTPN1 (0.56) PTPN1KDM4ELMNAMAPTALDH1A1

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