SCHEMBL8705170

SCHEMBL8705170

c1ccc(/C2=C(\c3ccccc3)CCCCCC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.52
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
SLC6A3 Q01959 1/20 0.48
FGF23 Q9GZV9 1/20 0.47
CFTR P13569 1/20 0.46
GOPC Q9HD26 1/20 0.46
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.43
KMT2A Q03164 1/20 0.39
HPGD P15428 1/20 0.38
PTGS1 P23219 1/20 0.37
MAPK14 Q16539 1/20 0.37

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
SCHEMBL30144760 1.00 PTGS2 (0.52) PTGS2SLC6A2SLC6A4SLC6A3FGF23
SCHEMBL30877921 1.00 PTGS2 (0.52) PTGS2SLC6A2SLC6A4SLC6A3FGF23
SCHEMBL8705175 1.00 PTGS2 (0.52) PTGS2SLC6A2SLC6A4SLC6A3FGF23
SCHEMBL8653245 0.97 PTGS2 (0.54) PTGS2SLC6A2SLC6A4SLC6A3FGF23
SCHEMBL8518215 0.91 PTGS2 (0.59) PTGS2SLC6A2SLC6A4SLC6A3FGF23
SCHEMBL7212942 0.84 ALDH1A1 (0.53) PTGS2FGF23CFTRGOPCCHRNB4
SCHEMBL27874435 0.83 KMT2A (0.46) PTGS2SLC6A2SLC6A4SLC6A3FGF23
SCHEMBL5606620 0.83 PTGS2 (0.53) PTGS2SLC6A2SLC6A4SLC6A3FGF23
SCHEMBL29681890 0.83 SLC6A2 (0.46) PTGS2SLC6A2SLC6A4SLC6A3FGF23
SCHEMBL30144692 0.82 SLC6A2 (0.42) PTGS2SLC6A2SLC6A4SLC6A3FGF23

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118652291-A Two biphenyl cyclooctene lignans, extraction method and application thereof 陕西省西安植物园(陕西省植物研究所) 2024-09-17 CN claimed
CN-117890603-A Application of PD-L1 as drug target in screening drugs for inhibiting tendon adhesion 南通大学附属医院 2024-04-16 CN claimed
CN-117890603-A Application of PD-L1 as drug target in screening drugs for inhibiting tendon adhesion 南通大学附属医院 2024-04-16 CN disclosed
WO-1998049128-A1 PROCESS FOR PREPARING A (HETERO)AROMATIC OLEFIN DSM N.V. (NL) 1998-11-05 WO disclosed