SCHEMBL6942553

SCHEMBL6942553

O=C(O)NC(Cc1ccccc1)C(O)C(Cl)Cl

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43
NCOA1 Q15788 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43
CYP1A2 P05177 1/20 0.43
BACE1 P56817 2/20 0.41
SLC6A11 P48066 1/20 0.41
CTRB1 P17538 3/20 0.41
ALPI P09923 1/20 0.41
PKM P14618 1/20 0.41
PTGS1 P23219 1/20 0.41
XIAP P98170 1/20 0.41
SLC7A5 Q01650 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL6945454 1.00 NPC1 (0.45) NPC1RAB9AALDH1A1HTTNCOA1
SCHEMBL6942559 1.00 NPC1 (0.45) NPC1RAB9AALDH1A1HTTNCOA1
SCHEMBL6942561 1.00 NPC1 (0.45) NPC1RAB9AALDH1A1HTTNCOA1
SCHEMBL16163308 0.83 NPC1 (0.43) NPC1RAB9ABACE1CTRB1
SCHEMBL4728419 0.82 NPC1 (0.50) NPC1RAB9ACYP1A2BACE1SLC6A11
SCHEMBL9012913 0.81 BACE1 (0.50) NPC1RAB9ACYP1A2BACE1SLC6A11
SCHEMBL4687328 0.81 NPC1 (0.50) NPC1RAB9ACTRB1ALPIPKM
SCHEMBL6944942 0.80 BACE1 (0.47) NPC1RAB9AALDH1A1HTTNCOA1
SCHEMBL2712697 0.80 BACE1 (0.47) NPC1RAB9AALDH1A1HTTNCOA1
SCHEMBL3507688 0.80 CTSC (0.48) NPC1RAB9ACYP1A2BACE1SLC6A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0827943-B1 PROCESSES FOR THE REDUCTION OF CARBONYL COMPOUNDS KANEKA CORP (JP) 2003-05-21 EP disclosed
US-6150567-A REACTING CARBONYL COMPOUND WITH ORGANOALUMINUM COMPOUND TO FORM AN ALCOHOL COMPOUND KANEKA CORPORATION (JP) 2000-11-21 US disclosed
EP-0827943-A1 PROCESSES FOR THE REDUCTION OF CARBONYL COMPOUNDS KANEKA CORPORATION (JP) 1998-03-11 EP disclosed