SCHEMBL9112093

SCHEMBL9112093

C=CCOc1ccc(C(=O)/C=C/c2cc(CC=C)c(OC(C)C)c(OC(C)C)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 12/20 0.56
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
KRAS P01116 1/20 0.45
SLC5A1 P13866 1/20 0.44
SLC5A2 P31639 1/20 0.44
EGFR P00533 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
FLT3 P36888 1/20 0.43

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
SCHEMBL9112102 1.00 PTPN1 (0.56) PTPN1KDM4ELMNAMAPTALDH1A1
SCHEMBL9113745 0.91 KDM4E (0.48) PTPN1KDM4ELMNAMAPTALDH1A1
SCHEMBL9113751 0.91 KDM4E (0.48) PTPN1KDM4ELMNAMAPTALDH1A1
SCHEMBL9113973 0.90 ABCG2 (0.52) PTPN1KDM4ELMNAMAPTALDH1A1
SCHEMBL9113981 0.90 ABCG2 (0.52) PTPN1KDM4ELMNAMAPTALDH1A1
SCHEMBL9113085 0.89 PTPN1 (0.53) PTPN1KDM4ELMNAMAPTALDH1A1
SCHEMBL9113078 0.89 PTPN1 (0.53) PTPN1KDM4ELMNAMAPTALDH1A1
SCHEMBL9115822 0.87 KDM4E (0.51) PTPN1KDM4ELMNAMAPTALDH1A1
SCHEMBL9115832 0.87 KDM4E (0.51) PTPN1KDM4ELMNAMAPTALDH1A1
SCHEMBL9115062 0.86 KDM4E (0.47) 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