SCHEMBL8146147

SCHEMBL8146147

CCCCCOc1c(C=CC(=O)c2ccccc2)c(OCCCCC)c(OCCCCC)c(OCCCCC)c1OCCCCC

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BCHE P06276 13/20 0.52
ACHE P22303 10/20 0.52
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
MAPT P10636 2/20 0.50
KMT2A Q03164 1/20 0.50
ABCG2 Q9UNQ0 1/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
LMNA P02545 1/20 0.47
PTGS1 P23219 1/20 0.46
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL8154284 0.99 BCHE (0.53) BCHEACHENPC1RAB9AMAPT
SCHEMBL8154641 0.96 NPC1 (0.55) BCHEACHENPC1RAB9AMAPT
SCHEMBL8159448 0.93 BCHE (0.47) BCHEACHENPC1RAB9AMAPT
SCHEMBL8152035 0.92 BCHE (0.47) BCHEACHENPC1RAB9AMAPT
SCHEMBL8160069 0.92 MAPT (0.52) BCHEACHENPC1RAB9AMAPT
SCHEMBL8159068 0.89 BCHE (0.48) BCHEACHENPC1RAB9AMAPT
SCHEMBL8146385 0.85 MAPT (0.62) BCHEACHENPC1RAB9AMAPT
SCHEMBL8160027 0.84 NPC1 (0.46) BCHEACHENPC1RAB9AMAPT
SCHEMBL8145531 0.82 BCHE (0.47) BCHEACHENPC1RAB9AMAPT
SCHEMBL8152764 0.81 BCHE (0.47) BCHEACHENPC1RAB9AMAPT

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
EP-0996432-A2 BIOLOGICALLY ACTIVE 1,3-BIS-AROMATIC-PROP-2-EN-1-ONES, 1,3-BIS-AROMATIC-PROPAN-1-ONES, AND 1,3-BIS-AROMATIC-PROP-2-YN-1-ONES STATENS SERUMINSTITUT (DK) 2000-05-03 EP claimed
WO-1999000114-A2 BIOLOGICALLY ACTIVE 1,3-BIS-AROMATIC-PROP-2-EN-1-ONES, 1,3-BIS-AROMATIC-PROPAN-1-ONES, AND 1,3-BIS-AROMATIC-PROP-2-YN-1-ONES STATENS SERUM INSTITUT (DK) 1999-01-07 WO claimed