SCHEMBL29919786

SCHEMBL29919786

CCOc1cc2cc3ccccc3cc2cc1OCC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.55
ALDH1A1 P00352 1/20 0.48
S1PR1 P21453 2/20 0.45
L3MBTL1 Q9Y468 5/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
NQO1 P15559 1/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
LTA4H P09960 1/20 0.43
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
CASP6 P55212 1/20 0.42
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GLA P06280 1/20 0.42
PDE10A Q9Y233 1/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL23457948 1.00 TLR8 (0.55) TLR8ALDH1A1S1PR1L3MBTL1CYP1A2
SCHEMBL3818602 0.95 TLR8 (0.58) TLR8ALDH1A1S1PR1L3MBTL1CYP1A2
SCHEMBL20698429 0.87 IRAK4 (0.47) TLR8ALDH1A1S1PR1L3MBTL1CYP1A2
SCHEMBL24557534 0.87 NQO1 (0.52) TLR8ALDH1A1S1PR1NQO1NPC1
SCHEMBL24576254 0.85 TLR8 (0.50) TLR8ALDH1A1S1PR1L3MBTL1CYP1A2
SCHEMBL20564507 0.84 TLR8 (0.49) TLR8ALDH1A1S1PR1L3MBTL1CYP1A2
SCHEMBL10363684 0.83 TLR8 (0.51) TLR8ALDH1A1S1PR1L3MBTL1CYP1A2
SCHEMBL20564510 0.81 TLR8 (0.50) TLR8ALDH1A1L3MBTL1TDP1NPC1
SCHEMBL1807824 0.81 TLR8 (0.50) TLR8ALDH1A1S1PR1L3MBTL1CYP1A2
SCHEMBL18023036 0.81 TLR8 (0.50) TLR8ALDH1A1S1PR1L3MBTL1CYP1A2

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-4069806-A1 METHOD OF MARKING A PETROLEUM HYDROCARBON Sicpa Holding SA (CH) 2022-10-12 EP disclosed