SCHEMBL8154284

SCHEMBL8154284

CCCCCCOc1c(C=CC(=O)c2ccccc2)c(OCCCCCC)c(OCCCCCC)c(OCCCCCC)c1OCCCCCC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 13/20 0.53
ACHE P22303 11/20 0.53
NPC1 O15118 1/20 0.49
MAPT P10636 1/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 1/20 0.49
TUBB4A P04350 2/20 0.47
TUBB P07437 2/20 0.47
TUBA3C P0DPH7 2/20 0.47
TUBA1B P68363 2/20 0.47
TUBA4A P68366 2/20 0.47
TUBB4B P68371 2/20 0.47
TUBB3 Q13509 2/20 0.47
TUBB2A Q13885 2/20 0.47
TUBB8 Q3ZCM7 2/20 0.47
TUBA3E Q6PEY2 2/20 0.47
TUBA1A Q71U36 2/20 0.47
TUBA1C Q9BQE3 2/20 0.47
TUBB6 Q9BUF5 2/20 0.47
TUBB2B Q9BVA1 2/20 0.47

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
SCHEMBL8146147 0.99 BCHE (0.52) BCHEACHENPC1MAPTRAB9A
SCHEMBL8154641 0.94 NPC1 (0.55) BCHEACHENPC1MAPTRAB9A
SCHEMBL8152035 0.93 BCHE (0.47) BCHEACHENPC1MAPTRAB9A
SCHEMBL8159448 0.91 BCHE (0.47) BCHEACHENPC1MAPTRAB9A
SCHEMBL8160069 0.90 MAPT (0.52) BCHEACHENPC1MAPTRAB9A
SCHEMBL8159068 0.87 BCHE (0.48) BCHEACHENPC1MAPTRAB9A
SCHEMBL8146385 0.84 MAPT (0.62) BCHEACHENPC1MAPTRAB9A
SCHEMBL8160027 0.83 NPC1 (0.46) BCHEACHENPC1MAPTRAB9A
SCHEMBL8152764 0.83 BCHE (0.47) BCHEACHENPC1MAPTRAB9A
SCHEMBL8145531 0.81 BCHE (0.47) BCHEACHENPC1MAPTRAB9A

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