SCHEMBL9113392

SCHEMBL9113392

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

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.68
KDM4E B2RXH2 3/20 0.68
LMNA P02545 3/20 0.68
ALDH1A1 P00352 1/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
MAOB P27338 11/20 0.66
MAOA P21397 1/20 0.66
ABCG2 Q9UNQ0 1/20 0.64
CYP1A1 P04798 2/20 0.62
CYP1B1 Q16678 2/20 0.62
NPC1 O15118 1/20 0.62
RAB9A P51151 1/20 0.62
KMT2A Q03164 1/20 0.62
POLB P06746 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56

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
SCHEMBL9110923 0.93 MAPT (0.63) MAPTKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL9112023 0.93 MAPT (0.63) MAPTKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL9112114 0.93 ABCG2 (0.63) MAPTKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL9112514 0.93 MAOB (0.69) MAPTKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL9113734 0.93 MAPT (0.76) MAPTKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL9116020 0.92 MAPT (0.64) MAPTKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL9111571 0.91 MAPT (0.57) MAPTKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL9112491 0.90 MAOB (0.64) MAPTKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL9113547 0.90 MAPT (0.61) MAPTKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL9115180 0.88 ABCG2 (0.66) MAPTKDM4ELMNAALDH1A1SMN1; 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 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