SCHEMBL9113383

SCHEMBL9113383

CCCOc1ccc(C(=O)/C=C/c2ccc(OC(C)C)c(OC(C)C)c2)cc1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 4/20 0.63
KDM4E B2RXH2 2/20 0.60
LMNA P02545 2/20 0.60
MAPT P10636 2/20 0.60
CYP1A1 P04798 1/20 0.58
CYP1B1 Q16678 1/20 0.58
PDE4A P27815 1/20 0.56
PDE4B Q07343 1/20 0.56
PDE4C Q08493 1/20 0.56
PDE4D Q08499 1/20 0.56
TNFRSF1A P19438 1/20 0.53
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
ALDH1A1 P00352 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MAOB P27338 6/20 0.50
DPP4 P27487 2/20 0.50
BCHE P06276 1/20 0.49
ACHE P22303 1/20 0.49

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
SCHEMBL9113111 1.00 ABCG2 (0.63) ABCG2KDM4ELMNAMAPTCYP1A1
SCHEMBL9114151 0.90 ABCG2 (0.61) ABCG2KDM4ELMNAMAPTCYP1A1
SCHEMBL9114147 0.90 ABCG2 (0.61) ABCG2KDM4ELMNAMAPTCYP1A1
SCHEMBL9115182 0.87 ABCG2 (0.70) ABCG2KDM4ELMNAMAPTCYP1A1
SCHEMBL9115380 0.87 ABCG2 (0.58) ABCG2KDM4ELMNAMAPTCYP1A1
SCHEMBL9115375 0.87 ABCG2 (0.58) ABCG2KDM4ELMNAMAPTCYP1A1
SCHEMBL9112592 0.86 ABCG2 (0.60) ABCG2KDM4ELMNAMAPTCYP1A1
SCHEMBL9112335 0.85 KDM4E (0.56) ABCG2KDM4ELMNAMAPTPDE4A
SCHEMBL9112339 0.85 KDM4E (0.56) ABCG2KDM4ELMNAMAPTPDE4A
SCHEMBL9113057 0.85 KDM4E (0.82) ABCG2KDM4ELMNAMAPTCYP1A1

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 1 patent. 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