SCHEMBL9006429

SCHEMBL9006429

CC(C)(C)CC(C)(C)c1ccc(-c2ccccc2O)c(-n2nc3ccccc3n2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
LMNA P02545 3/20 0.41
SHBG P04278 1/20 0.38
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 1/20 0.37
HIF1A Q16665 1/20 0.37
CNR1 P21554 4/20 0.36
CNR2 P34972 4/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPK1 P28482 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
USP2 O75604 1/20 0.34
ESR1 P03372 1/20 0.34
TP53 P04637 1/20 0.34
PGR P06401 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
AR P10275 1/20 0.34
MAPT P10636 1/20 0.34

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
Octrizole SCHEMBL29349945 0.86 NPC1 (0.56) NPC1RAB9ALMNASHBGCYP3A4
Octrizole SCHEMBL15508 0.86 NPC1 (0.56) NPC1RAB9ALMNASHBGCYP3A4
Octrizole SCHEMBL28983126 0.86 NPC1 (0.56) NPC1RAB9ALMNASHBGCYP3A4
SCHEMBL9115616 0.85 NPC1 (0.36) NPC1RAB9ALMNASHBGCYP3A4
Octrizole SCHEMBL30315837 0.85 NPC1 (0.55) NPC1RAB9ALMNASHBGCYP3A4
SCHEMBL9006433 0.84 CNR1 (0.57) NPC1RAB9ALMNACNR1CNR2
SCHEMBL28595118 0.83 PTPN5 (0.36) NPC1RAB9ALMNASHBGCYP3A4
SCHEMBL7592852 0.83 NPC1 (0.42) NPC1RAB9ALMNASHBGCYP3A4
SCHEMBL7909025 0.83 NPC1 (0.46) NPC1RAB9ALMNASHBGCYP3A4
Octrizole SCHEMBL5547097 0.82 NPC1 (0.52) NPC1RAB9ALMNASHBGCYP3A4

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-5556980-A LIGHT STABILIZERS FOR POLYMERS, PAINTS AND WAXES SUMITOMO CHEMICAL CO., LTD. (JP) 1996-09-17 US disclosed