SCHEMBL9113665

SCHEMBL9113665

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

nearest known ligand 0.53

Predicted protein targets (top 17)

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
MAOB P27338 4/20 0.44
MCL1 Q07820 1/20 0.43
MAOA P21397 1/20 0.43
PPARA Q07869 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
SCHEMBL9113656 1.00 PTPN1 (0.53) PTPN1KDM4ELMNAMAPTALDH1A1
SCHEMBL9113411 0.92 MAPT (0.59) PTPN1KDM4ELMNAMAPTALDH1A1
SCHEMBL9115271 0.90 ABCG2 (0.55) PTPN1KDM4ELMNAMAPTALDH1A1
SCHEMBL9113211 0.90 KDM4E (0.49) PTPN1KDM4ELMNAMAPTALDH1A1
SCHEMBL9113218 0.90 KDM4E (0.49) PTPN1KDM4ELMNAMAPTALDH1A1
SCHEMBL9114106 0.89 KRAS (0.58) PTPN1KDM4ELMNAMAPTALDH1A1
SCHEMBL9114101 0.89 KRAS (0.58) PTPN1KDM4ELMNAMAPTALDH1A1
SCHEMBL9113782 0.89 KDM4E (0.50) PTPN1KDM4ELMNAMAPTALDH1A1
SCHEMBL9113775 0.89 KDM4E (0.50) PTPN1KDM4ELMNAMAPTALDH1A1
SCHEMBL9113441 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