SCHEMBL9112683

SCHEMBL9112683

C=CCc1c(OC)cc(C=CC(=O)c2ccc(OCC)cc2)cc1OC

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.73
KDM4E B2RXH2 2/20 0.73
LMNA P02545 2/20 0.73
ALDH1A1 P00352 1/20 0.73
SMN1; SMN2 Q16637 1/20 0.73
PTPN1 P18031 2/20 0.64
MAOB P27338 8/20 0.62
MAOA P21397 1/20 0.57
KRAS P01116 1/20 0.56
ABCG2 Q9UNQ0 1/20 0.56
CYP1A1 P04798 2/20 0.56
CYP1A2 P05177 2/20 0.56
CYP2D6 P10635 2/20 0.56
CYP1B1 Q16678 2/20 0.56
DPP4 P27487 2/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
KMT2A Q03164 1/20 0.54

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
SCHEMBL9112680 1.00 MAPT (0.73) MAPTKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL9114996 0.93 MAPT (0.65) MAPTKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL9115002 0.93 MAPT (0.65) MAPTKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL9114410 0.91 KDM4E (0.60) MAPTKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL9113968 0.91 PTPN1 (0.64) MAPTKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL9114745 0.91 MAPT (0.63) MAPTKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL9113961 0.91 PTPN1 (0.64) MAPTKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL9114998 0.91 KRAS (0.68) MAPTKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL9114991 0.91 KRAS (0.68) MAPTKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL9115765 0.89 MAPT (0.60) 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