SCHEMBL9112447

SCHEMBL9112447

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

nearest known ligand 0.81

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.81
KDM4E B2RXH2 2/20 0.81
LMNA P02545 2/20 0.81
ALDH1A1 P00352 1/20 0.81
SMN1; SMN2 Q16637 1/20 0.81
MAOB P27338 8/20 0.70
MAOA P21397 1/20 0.64
KRAS P01116 1/20 0.62
ABCG2 Q9UNQ0 1/20 0.62
CYP1A1 P04798 3/20 0.61
CYP1A2 P05177 3/20 0.61
CYP2D6 P10635 3/20 0.61
CYP1B1 Q16678 3/20 0.61
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
KMT2A Q03164 1/20 0.60
DPP4 P27487 2/20 0.60
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59

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
SCHEMBL9112442 1.00 MAPT (0.81) MAPTKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL9112054 0.92 MAPT (0.73) MAPTKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL9112049 0.92 MAPT (0.73) MAPTKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL9114679 0.90 KDM4E (0.67) MAPTKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL9112439 0.90 MAOB (0.70) MAPTKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL9115186 0.88 MAPT (0.67) MAPTKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL9112638 0.88 MAPT (0.67) MAPTKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL9115190 0.88 MAPT (0.67) MAPTKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL9115497 0.88 MAPT (0.67) MAPTKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL7194628 0.86 KDM4E (0.62) 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