SCHEMBL27409758

SCHEMBL27409758

COc1cc(C=CC(=O)c2ccccc2)c(C(C)(C)C)c(OC)c1O

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.60
MAPT P10636 2/20 0.60
RAB9A P51151 2/20 0.60
LMNA P02545 1/20 0.60
BCHE P06276 1/20 0.60
NLRP3 Q96P20 1/20 0.55
ALDH1A1 P00352 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
TNFRSF1A P19438 3/20 0.53
MAOB P27338 3/20 0.53
NR1H4 Q96RI1 1/20 0.53
ABCG2 Q9UNQ0 1/20 0.51
ABCB1 P08183 2/20 0.50

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
SCHEMBL27409755 1.00 NPC1 (0.60) NPC1MAPTRAB9ALMNABCHE
SCHEMBL28126221 0.86 NPC1 (0.63) NPC1MAPTRAB9ALMNABCHE
SCHEMBL27923020 0.86 NPC1 (0.63) NPC1MAPTRAB9ALMNABCHE
SCHEMBL27391382 0.84 NPC1 (0.60) NPC1MAPTRAB9ALMNABCHE
SCHEMBL27391381 0.84 NPC1 (0.60) NPC1MAPTRAB9ALMNABCHE
SCHEMBL27394069 0.83 MAPT (0.52) NPC1MAPTRAB9ALMNABCHE
SCHEMBL27394068 0.83 MAPT (0.52) NPC1MAPTRAB9ALMNABCHE
SCHEMBL27397288 0.83 NPC1 (0.47) NPC1MAPTRAB9ALMNABCHE
SCHEMBL5313684 0.81 NPC1 (0.63) NPC1MAPTRAB9ALMNABCHE
SCHEMBL27762381 0.81 NPC1 (0.63) NPC1MAPTRAB9ALMNABCHE

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1095590-A By parasite or bacterial treatment of diseases and prevention STATENS SERUMINSTITUT (DK) 1994-11-30 CN claimed
CN-1095590-A By parasite or bacterial treatment of diseases and prevention STATENS SERUMINSTITUT (DK) 1994-11-30 CN disclosed