SCHEMBL9113441

SCHEMBL9113441

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

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 13/20 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
ALOX5 P09917 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
SCHEMBL9113445 1.00 PTPN1 (0.56) PTPN1KDM4ELMNAMAPTALDH1A1
SCHEMBL9113071 0.91 KDM4E (0.48) PTPN1KDM4ELMNAMAPTALDH1A1
SCHEMBL9113068 0.91 KDM4E (0.48) PTPN1KDM4ELMNAMAPTALDH1A1
SCHEMBL9112972 0.90 ABCG2 (0.52) PTPN1KDM4ELMNAMAPTALDH1A1
SCHEMBL9111709 0.90 ABCG2 (0.52) PTPN1KDM4ELMNAMAPTALDH1A1
SCHEMBL9113665 0.89 PTPN1 (0.53) PTPN1KDM4ELMNAMAPTALDH1A1
SCHEMBL9113656 0.89 PTPN1 (0.53) PTPN1KDM4ELMNAMAPTALDH1A1
SCHEMBL9113240 0.88 PTPN1 (0.48) PTPN1KDM4ELMNAMAPTALDH1A1
SCHEMBL9113782 0.86 KDM4E (0.50) PTPN1KDM4ELMNAMAPTALDH1A1
SCHEMBL9113775 0.86 KDM4E (0.50) 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