SCHEMBL7557484

SCHEMBL7557484

Cc1nc(C)c(C=O)c(-c2ccc(F)cc2)n1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.40
PTGS2 P35354 9/20 0.40
ALDH1A1 P00352 2/20 0.39
PTGS1 P23219 3/20 0.38
KMT2A Q03164 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
ADORA1 P30542 1/20 0.38
MAPK14 Q16539 1/20 0.37
POLB P06746 1/20 0.36

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
SCHEMBL10411184 0.86 EGLN1 (0.38) EGLN1PTGS2ALDH1A1PTGS1KMT2A
SCHEMBL10411182 0.86 EGLN1 (0.38) EGLN1PTGS2ALDH1A1PTGS1KMT2A
SCHEMBL8846678 0.83 ADORA2A (0.38) EGLN1PTGS2PTGS1ADORA2AADORA2B
SCHEMBL8241631 0.81 GCGR (0.44) EGLN1PTGS2ALDH1A1PTGS1
SCHEMBL9788393 0.80 PDE4B (0.50) PTGS2ALDH1A1KMT2AADORA1POLB
SCHEMBL8949995 0.77 ALDH1A1 (0.46) PTGS2ALDH1A1KMT2A
SCHEMBL10411663 0.77 EGLN1 (0.39) EGLN1PTGS2PTGS1ADORA2AADORA2B
SCHEMBL10410046 0.76 ALDH1A1 (0.41) EGLN1ALDH1A1POLB
SCHEMBL10410049 0.76 ALDH1A1 (0.41) EGLN1ALDH1A1POLB
SCHEMBL10410199 0.72 EGLN1 (0.48) EGLN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0705837-B1 Preparation of 3-Oxy-5-oxo-6-heptenoic acid derivatives UBE INDUSTRIES (JP) 2002-08-07 EP disclosed
US-5744604-A Preparation of 3-oxy-5-oxo-6-heptenoic acid derivatives UBE INDUSTRIES, LTD. (JP) 1998-04-28 US disclosed
US-5677455-A Preparation of 3-oxy-5-oxo-6-heptenoic acid derivatives UBE INDUSTRIES, LTD. (JP) 1997-10-14 US disclosed
EP-0705837-A2 Preparation of 3-Oxy-5-oxo-6-heptenoic acid derivatives UBE INDUSTRIES, LTD. (JP) 1996-04-10 EP disclosed
US-4929620-A ANTILIPEMIC AGENTS WARNER-LAMBERT COMPANY (US) 1990-05-29 US disclosed
CN-1036954-A The pyrimidine that replaces BAYER AG (DE) 1989-11-08 CN disclosed
US-4868185-A HYPOLIPIDEMIC, ANTICHOLESTEROL WARNER-LAMBERT COMPANY (US) 1989-09-19 US disclosed
EP-0330057-A2 Substituted pyrimidines BAYER AG (DE) 1989-08-30 EP disclosed