SCHEMBL9110663

SCHEMBL9110663

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
LMNA P02545 2/20 0.49
MAPT P10636 2/20 0.49
ABCG2 Q9UNQ0 2/20 0.49
ALDH1A1 P00352 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
PTPN1 P18031 2/20 0.45
BCHE P06276 5/20 0.45
EGFR P00533 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
ACHE P22303 3/20 0.44
CYP1A1 P04798 2/20 0.44
CYP1B1 Q16678 2/20 0.44
PPARA Q07869 1/20 0.44
TNFRSF1A P19438 1/20 0.43
KRAS P01116 1/20 0.43
SLC5A1 P13866 1/20 0.43
SLC5A2 P31639 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
SCHEMBL9112362 0.96 ABCG2 (0.49) KDM4ELMNAMAPTABCG2ALDH1A1
SCHEMBL9112097 0.90 MAPT (0.56) KDM4ELMNAMAPTABCG2ALDH1A1
SCHEMBL9112337 0.90 ABCG2 (0.56) KDM4ELMNAMAPTABCG2ALDH1A1
SCHEMBL9115147 0.88 ABCG2 (0.56) KDM4ELMNAMAPTABCG2ALDH1A1
SCHEMBL9111669 0.88 ABCG2 (0.58) KDM4ELMNAMAPTABCG2ALDH1A1
SCHEMBL9114495 0.86 PTPN1 (0.56) KDM4ELMNAMAPTABCG2ALDH1A1
SCHEMBL9112473 0.85 KDM4E (0.50) KDM4ELMNAMAPTABCG2ALDH1A1
SCHEMBL9112847 0.85 ALDH1A1 (0.63) KDM4ELMNAMAPTABCG2ALDH1A1
SCHEMBL9111894 0.85 ABCG2 (0.56) KDM4ELMNAMAPTABCG2ALDH1A1
SCHEMBL9113240 0.84 PTPN1 (0.48) KDM4ELMNAMAPTABCG2ALDH1A1

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