SCHEMBL9112847

SCHEMBL9112847

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

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
KDM4E B2RXH2 2/20 0.63
LMNA P02545 2/20 0.63
MAPT P10636 2/20 0.63
KRAS P01116 6/20 0.60
PTPN1 P18031 1/20 0.54
CA1 P00915 3/20 0.54
CA2 P00918 3/20 0.54
TNFRSF1A P19438 2/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
EGFR P00533 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
ATM Q13315 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
ABCG2 Q9UNQ0 2/20 0.52
ABCC1 P33527 1/20 0.52

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
SCHEMBL9114466 0.87 KDM4E (0.58) ALDH1A1SMN1; SMN2KDM4ELMNAMAPT
SCHEMBL9112097 0.87 MAPT (0.56) ALDH1A1SMN1; SMN2KDM4ELMNAMAPT
SCHEMBL9113240 0.87 PTPN1 (0.48) ALDH1A1SMN1; SMN2KDM4ELMNAMAPT
SCHEMBL9112356 0.87 KDM4E (0.67) ALDH1A1SMN1; SMN2KDM4ELMNAMAPT
SCHEMBL9114871 0.85 PTPN1 (0.67) ALDH1A1SMN1; SMN2KDM4ELMNAMAPT
SCHEMBL9114875 0.85 PTPN1 (0.67) ALDH1A1SMN1; SMN2KDM4ELMNAMAPT
SCHEMBL9115062 0.85 KDM4E (0.47) ALDH1A1SMN1; SMN2KDM4ELMNAMAPT
SCHEMBL9112362 0.85 ABCG2 (0.49) ALDH1A1SMN1; SMN2KDM4ELMNAMAPT
SCHEMBL9110663 0.85 KDM4E (0.49) ALDH1A1SMN1; SMN2KDM4ELMNAMAPT
SCHEMBL7194628 0.84 KDM4E (0.62) ALDH1A1SMN1; SMN2KDM4ELMNAMAPT

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