SCHEMBL7273563

SCHEMBL7273563

CCCCc1c(CO)ccc(OC)c1OC

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 6/20 0.47
AOC3 Q16853 1/20 0.43
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 1/20 0.40
PTGS2 P35354 1/20 0.40
SLC2A1 P11166 1/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 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
SCHEMBL7279487 0.90 AOC3 (0.45) ALOX5AOC3LMNAMAPTSLC2A1
SCHEMBL11808022 0.83 ALOX5 (0.53) ALOX5AOC3PTGS2SLC2A1
SCHEMBL7274253 0.83 SLC2A1 (0.45) AOC3LMNAMAPTPTGS2SLC2A1
SCHEMBL30056339 0.83 AOC3 (0.46) AOC3LMNAMAPTKMT2AALDH1A1
SCHEMBL11300908 0.83 AOC3 (0.46) AOC3LMNAMAPTKMT2AALDH1A1
Hydrochloric Acid SCHEMBL7272112 0.81 ALOX5 (0.44) ALOX5AOC3SLC2A1
SCHEMBL27586556 0.81 AOC3 (0.57) ALOX5AOC3LMNAMAPTKMT2A
SCHEMBL28309045 0.81 ALOX5 (0.54) ALOX5PTGS2SLC2A1
SCHEMBL16190956 0.81 ALOX5 (0.43) ALOX5AOC3PTGS2
SCHEMBL7282349 0.80 ALOX5 (0.40) ALOX5AOC3LMNAMAPTKMT2A

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
US-4885313-A 3,4-Dihydroxyphenylethylamine derivatives and their use FISONS PLC (GB) 1989-12-05 US disclosed
US-4803225-A Dihydroxy-phenethylamino compounds useful as pharmaceuticals FISONS, PLC (GB) 1989-02-07 US disclosed
US-4720586-A Substituted 3,4-dihydroxy-phenylethylamino compounds FISONS, PLC (GB) 1988-01-19 US disclosed
EP-0142283-A2 Phenylethylamines, process for their preparation and compositions containing them FISONS plc (GB) 1985-05-22 EP disclosed