SCHEMBL9113570

SCHEMBL9113570

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

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.65
LMNA P02545 2/20 0.65
MAPT P10636 2/20 0.65
ALDH1A1 P00352 2/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
KRAS P01116 5/20 0.58
PTPN1 P18031 2/20 0.56
CA1 P00915 3/20 0.53
CA2 P00918 3/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
EGFR P00533 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
ATM Q13315 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
ABCG2 Q9UNQ0 2/20 0.52
ABCC1 P33527 1/20 0.52
CYP1A1 P04798 3/20 0.51

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
SCHEMBL9113565 1.00 KDM4E (0.65) KDM4ELMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL9114871 0.91 PTPN1 (0.67) KDM4ELMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL9114875 0.91 PTPN1 (0.67) KDM4ELMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL9111826 0.89 KDM4E (0.69) KDM4ELMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL9111831 0.89 KDM4E (0.69) KDM4ELMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL9114573 0.88 MAPT (0.56) KDM4ELMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL9114565 0.88 MAPT (0.56) KDM4ELMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL9113065 0.88 KDM4E (0.60) KDM4ELMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL9113073 0.88 KDM4E (0.60) KDM4ELMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL9112473 0.87 KDM4E (0.50) KDM4ELMNAMAPTALDH1A1SMN1; SMN2

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