SCHEMBL8945912

SCHEMBL8945912

Cc1cc(O)c(C(C)C)cc1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.57
KMT2A Q03164 2/20 0.57
MEN1 O00255 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
LMNA P02545 4/20 0.53
PKM P14618 2/20 0.49
HSP90AA1 P07900 4/20 0.47
GRM1 Q13255 1/20 0.45
ALDH1A1 P00352 4/20 0.44
GAA P10253 2/20 0.44
HTT P42858 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ACE2 Q9BYF1 1/20 0.44
HSP90AB1 P08238 2/20 0.43
TRPA1 O75762 1/20 0.42
CHRM1 P11229 1/20 0.42
SLC6A2 P23975 1/20 0.42
ADRA1A P35348 1/20 0.42
HTR2B P41595 1/20 0.42
CYP3A4 P08684 2/20 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
SCHEMBL29382216 1.00 MAPT (0.57) MAPTKMT2AMEN1NPSR1LMNA
SCHEMBL9252960 0.85 GRM1 (0.57) MAPTKMT2AMEN1NPSR1LMNA
SCHEMBL27538691 0.85 LMNA (0.53) MAPTKMT2AMEN1NPSR1LMNA
SCHEMBL29924059 0.84 HSP90AA1 (0.53) MAPTKMT2AMEN1NPSR1LMNA
SCHEMBL18677495 0.84 HSP90AA1 (0.53) MAPTKMT2AMEN1NPSR1LMNA
SCHEMBL13049116 0.84 ACE2 (0.46) MAPTKMT2AMEN1NPSR1GRM1
Potassium Ion SCHEMBL29477948 0.83 LMNA (0.52) MAPTKMT2AMEN1NPSR1LMNA
SCHEMBL4639806 0.83 LMNA (0.52) MAPTKMT2AMEN1NPSR1LMNA
SCHEMBL30893072 0.82 MEN1 (0.46) MAPTKMT2AMEN1NPSR1LMNA
SCHEMBL29478010 0.81 LMNA (0.50) MAPTKMT2AMEN1NPSR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114717296-A Encoding and decoding of signals in multiplexed biochemical assays 加州理工学院 2022-07-08 CN disclosed
CN-107326085-B Encoding and decoding of signals in multiplexed biochemical assays 加州理工学院 2022-05-03 CN disclosed
CN-110612447-A Assay for detecting early stage pancreatic cancer 德克萨斯州立大学董事会 2019-12-24 CN disclosed
US-5580702-A COMPRISING A PHOTOSENSITIVE ACID-GENERATING COMPOUND AND A COPOLYMER OF P-HYDROXYSTYRENE AND AN ESTER OF P-CARBOXYMETHOXYSTYRENE; NONTOXIC; STEEP WALLS; HIGH SPEED; SEMICONDUCTORS KABUSHIKI KAISHA TOSHIBA (JP) 1996-12-03 US disclosed
US-5403695-A Photolithography; high resolution; semiconductors KABUSHIKI KAISHA TOSHIBA (JP) 1995-04-04 US disclosed