SCHEMBL8033622

SCHEMBL8033622

CCC(O)COC(CC)Oc1ccc(-c2nc(-c3ccc(C)cc3C)nc(-c3ccc(C)cc3C)n2)c(O)c1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.34
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CRHR1 P34998 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.30
TAS1R1 Q7RTX1 1/20 0.30
TAS1R2 Q8TE23 1/20 0.30
FFAR1 O14842 1/20 0.30
EGLN1 Q9GZT9 1/20 0.30
ADORA3 P0DMS8 1/20 0.30

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
SCHEMBL8036063 0.89 CNR2 (0.33) NPC1
SCHEMBL8029936 0.89 CNR2 (0.33) NPC1
SCHEMBL8030165 0.89 CNR2 (0.33) NPC1
SCHEMBL12036694 0.85 ADRB2 (0.40) NPC1LMNAMAPTTSHRNPSR1
SCHEMBL13412695 0.85 ADRB2 (0.40) NPC1LMNAMAPTTSHRNPSR1
SCHEMBL7744799 0.81 CNR2 (0.38) NPC1MAPTTSHR
SCHEMBL12755359 0.79 KMT2A (0.43) NPC1LMNAMAPTTSHRNPSR1
SCHEMBL7128120 0.79 ADRB2 (0.42) NPC1LMNAMAPTTSHRNPSR1
SCHEMBL7122860 0.79 NPC1 (0.41) NPC1LMNAMAPTTSHRNPSR1
SCHEMBL22738432 0.78 ADRB2 (0.40) NPC1LMNAMAPTTSHRNPSR1

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
EP-0982356-A2 Improved stabilized coatings Clariant Finance (BVI) Limited (VG) 2000-03-01 EP disclosed