SCHEMBL9115002

SCHEMBL9115002

C=CCc1c(OCC)cc(C=CC(=O)c2ccc(OCC)cc2)cc1OCC

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.65
KDM4E B2RXH2 3/20 0.65
LMNA P02545 3/20 0.65
ALDH1A1 P00352 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
MAOB P27338 11/20 0.60
MAOA P21397 1/20 0.60
ABCG2 Q9UNQ0 1/20 0.58
PTPN1 P18031 1/20 0.58
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
KMT2A Q03164 1/20 0.56
POLB P06746 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
CYP1A1 P04798 2/20 0.54
CYP1B1 Q16678 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 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
SCHEMBL9114996 1.00 MAPT (0.65) MAPTKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL9112806 0.94 MAPT (0.58) MAPTKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL9112809 0.94 MAPT (0.58) MAPTKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL9111969 0.93 ABCG2 (0.58) MAPTKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL9111974 0.93 ABCG2 (0.58) MAPTKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL9113793 0.93 MAPT (0.60) MAPTKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL9115765 0.93 MAPT (0.60) MAPTKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL9112680 0.93 MAPT (0.73) MAPTKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL9114745 0.93 MAPT (0.63) MAPTKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL9112683 0.93 MAPT (0.73) 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