SCHEMBL9769203

SCHEMBL9769203

[CH2]c1sccc1CCCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.37
CTRC Q99895 1/20 0.34
ELANE P08246 1/20 0.33
CTSG P08311 1/20 0.33
LIPG Q9Y5X9 1/20 0.32
PDE4A P27815 3/20 0.32
PDE4B Q07343 3/20 0.32
PDE4C Q08493 3/20 0.32
PDE4D Q08499 3/20 0.32
PDE3B Q13370 2/20 0.32
PDE3A Q14432 2/20 0.32
ALDH1A1 P00352 2/20 0.32
GAA P10253 1/20 0.32
ERAP1 Q9NZ08 1/20 0.32
TLR8 Q9NR97 1/20 0.32
CYP3A4 P08684 3/20 0.32
TP53 P04637 2/20 0.32
MEN1 O00255 1/20 0.32
ALOX5 P09917 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL1521710 0.87
SCHEMBL20869442 0.78 TYR (0.39) TYRCTRCLIPGPDE4APDE4B
SCHEMBL4649166 0.78
SCHEMBL9243142 0.77 TYR (0.38) TYRCTRCLIPGPDE4APDE4B
SCHEMBL366507 0.77 TYR (0.38) TYRCTRCLIPGPDE4APDE4B
SCHEMBL4457865 0.77 LTB4R (0.45) TYRCTRCLIPGPDE4APDE4B
SCHEMBL2971165 0.75 TYR (0.37) TYRCTRCLIPGPDE4APDE4B
SCHEMBL4170722 0.75 TYR (0.37) TYRCTRCLIPGPDE4APDE4B
SCHEMBL2965801 0.75 TYR (0.41) TYRCTRCELANECTSGLIPG
SCHEMBL28681524 0.75 TLR8 (0.39) TYRCTRCLIPGALDH1A1TLR8

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4992534-A Anticarcinogenic agents with better water solubility, low toxicity, absorption and stability OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-02-12 US disclosed
CN-1031536-A 2 '-'-Deoxy-5-fluorouridine derivatives and its production and application OTSUKA PHARMA CO LTD (JP) 1989-03-08 CN disclosed