SCHEMBL19633285

SCHEMBL19633285

Cc1cc(C(C)(C)CC(C)(C)C)cc(Cc2cc(C(C)(C)CC(C)(C)C)cc(-n3nc4ccccc4n3)c2O)c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.42
RAB9A P51151 5/20 0.42
LMNA P02545 3/20 0.39
POLB P06746 3/20 0.39
IDH1 O75874 1/20 0.39
CYP3A4 P08684 4/20 0.36
ALDH1A1 P00352 4/20 0.36
HIF1A Q16665 2/20 0.36
HSD17B10 Q99714 2/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPT P10636 4/20 0.36
USP2 O75604 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 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

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
Bisoctrizole SCHEMBL29358089 0.95 NPC1 (0.43) NPC1RAB9ALMNAPOLBIDH1
Bisoctrizole SCHEMBL39191 0.95 NPC1 (0.43) NPC1RAB9ALMNAPOLBIDH1
Bisoctrizole SCHEMBL30113083 0.95 NPC1 (0.43) NPC1RAB9ALMNAPOLBIDH1
Bisoctrizole SCHEMBL5994392 0.95 NPC1 (0.43) NPC1RAB9ALMNAPOLBIDH1
SCHEMBL30545220 0.93 NPC1 (0.39) NPC1RAB9ALMNAPOLBIDH1
SCHEMBL8962738 0.92 NPC1 (0.50) NPC1RAB9ALMNAPOLBIDH1
SCHEMBL14198250 0.92 NPC1 (0.41) NPC1RAB9ALMNAPOLBIDH1
SCHEMBL9314160 0.92 NPC1 (0.40) NPC1RAB9ALMNAPOLBIDH1
Bisoctrizole SCHEMBL28644655 0.91 IDH1 (0.41) NPC1RAB9ALMNAPOLBIDH1
SCHEMBL8204058 0.90 NPC1 (0.48) NPC1RAB9ALMNAPOLBIDH1

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
WO-2017198806-A1 MICRO-PARTICULATE ORGANIC UV ABSORBER COMPOSITION BASF SE (DE) 2017-11-23 WO disclosed