SCHEMBL9110751

SCHEMBL9110751

CCCc1c(OCC)cc(C=CC(=O)c2ccc(OC)cc2)cc1OCC

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.65
KDM4E B2RXH2 2/20 0.65
LMNA P02545 2/20 0.65
ALDH1A1 P00352 2/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
MAOB P27338 4/20 0.65
KRAS P01116 1/20 0.62
TNFRSF1A P19438 2/20 0.58
F3 P13726 1/20 0.57
CXCL12 P48061 1/20 0.56
RAB9A P51151 2/20 0.56
NPC1 O15118 1/20 0.56
MCL1 Q07820 1/20 0.56
CYP1B1 Q16678 5/20 0.56
CYP1A1 P04798 4/20 0.56
CYP1A2 P05177 4/20 0.56
CYP2D6 P10635 4/20 0.56
CYP3A4 P08684 1/20 0.54
MEN1 O00255 1/20 0.53
HSPD1 P10809 1/20 0.53

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
SCHEMBL9110743 1.00 MAPT (0.65) MAPTKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL9111936 0.93 MAPT (0.68) MAPTKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL9111931 0.93 MAPT (0.68) MAPTKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL9115814 0.92 KRAS (0.60) MAPTKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL9112177 0.92 KRAS (0.60) MAPTKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL9110943 0.91 KRAS (0.70) MAPTKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL9110933 0.91 KRAS (0.70) MAPTKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL9111042 0.91 MAPT (0.76) MAPTKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL9111036 0.91 MAPT (0.76) MAPTKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL9113320 0.89 ABCG2 (0.61) 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