SCHEMBL6330928

SCHEMBL6330928

CC(C)(C)CC(C)(C)c1cc(Cc2cc(C(C)(C)CC(C)(C)C)c(-n3nc4ccccc4n3)cc2O)c(O)cc1-n1nc2ccccc2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 3/20 0.36
MEN1 O00255 2/20 0.36
USP2 O75604 2/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CYP3A4 P08684 2/20 0.36
ESR1 P03372 1/20 0.36
TP53 P04637 1/20 0.36
PGR P06401 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
AR P10275 1/20 0.36
DRD1 P21728 1/20 0.36
PTGS1 P23219 1/20 0.36
SLC6A2 P23975 1/20 0.36
PDE4A P27815 1/20 0.36
MAPK1 P28482 1/20 0.36
CASP1 P29466 1/20 0.36

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
SCHEMBL2944734 0.79 NPC1 (0.40) NPC1RAB9ALMNAMAPTMEN1
SCHEMBL30389113 0.79 NPC1 (0.40) NPC1RAB9ALMNAMAPTMEN1
SCHEMBL7932014 0.77 NPC1 (0.50) NPC1RAB9ALMNAMAPTMEN1
SCHEMBL3072177 0.77 NPC1 (0.39) NPC1RAB9ALMNAMAPTMEN1
Bisoctrizole SCHEMBL30113083 0.77 NPC1 (0.43) NPC1RAB9ALMNAMAPTMEN1
Bisoctrizole SCHEMBL29358089 0.77 NPC1 (0.43) NPC1RAB9ALMNAMAPTMEN1
Bisoctrizole SCHEMBL39191 0.77 NPC1 (0.43) NPC1RAB9ALMNAMAPTMEN1
Bisoctrizole SCHEMBL5994392 0.77 NPC1 (0.43) NPC1RAB9ALMNAMAPTMEN1
SCHEMBL28894056 0.76 NPC1 (0.38) NPC1RAB9ALMNAMAPTMEN1
SCHEMBL29371482 0.75 NPC1 (0.44) NPC1RAB9ALMNAMAPTSMN1; 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
US-6908956-B2 Stabilizer composition BASF AKTIENGESELLSCHAFT (DE) 2005-06-21 US disclosed