SCHEMBL9115765

SCHEMBL9115765

C=CCc1c(OCCC)cc(C=CC(=O)c2ccc(OCC)cc2)cc1OCCC

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.60
KDM4E B2RXH2 3/20 0.60
LMNA P02545 3/20 0.60
ALDH1A1 P00352 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
MAOB P27338 10/20 0.55
MAOA P21397 1/20 0.55
ABCG2 Q9UNQ0 2/20 0.55
PTPN1 P18031 1/20 0.54
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
KMT2A Q03164 1/20 0.52
CYP1A1 P04798 2/20 0.51
CYP1B1 Q16678 2/20 0.51
POLB P06746 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51

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
SCHEMBL9111969 0.96 ABCG2 (0.58) MAPTKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL9111974 0.96 ABCG2 (0.58) MAPTKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL9113793 0.96 MAPT (0.60) MAPTKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL9114086 0.96 ABCG2 (0.60) MAPTKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL9113089 0.94 ABCG2 (0.58) MAPTKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL9114996 0.93 MAPT (0.65) MAPTKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL9115002 0.93 MAPT (0.65) MAPTKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL9114950 0.93 ABCG2 (0.54) MAPTKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL9114608 0.91 KRAS (0.57) MAPTKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL9114410 0.89 KDM4E (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