SCHEMBL8422012

SCHEMBL8422012

C=CCc1cc(C(CC)CC(=O)O)ccc1OS(=O)(=O)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
GAA P10253 1/20 0.36
KDM4E B2RXH2 3/20 0.36
FFAR1 O14842 1/20 0.35
ELANE P08246 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
CXCR2 P25025 2/20 0.34
CXCR1 P25024 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PPARA Q07869 1/20 0.32
ALOX5 P09917 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
SCHEMBL8418498 0.82 PTGS2 (0.43) PTGDRPTGDR2KDM4EELANECXCR2
SCHEMBL8969655 0.81 PTGDR (0.38) PTGDRPTGDR2KDM4EELANEL3MBTL1
SCHEMBL27437226 0.80 ELANE (0.40) PTGDRPTGDR2KDM4EELANEL3MBTL1
SCHEMBL27433601 0.77 CXCR2 (0.33) PTGDRPTGDR2KDM4EELANECXCR2
SCHEMBL8422008 0.77 PPARA (0.49) PPARA
SCHEMBL8968448 0.75 CXCR2 (0.35) PTGDRPTGDR2KDM4EFFAR1ELANE
SCHEMBL8772571 0.75 SMN1; SMN2 (0.45) PTGDRPTGDR2KDM4EELANEL3MBTL1
SCHEMBL27438031 0.75 ELANE (0.39) PTGDRPTGDR2KDM4EELANEL3MBTL1
SCHEMBL2502795 0.75 FFAR1 (0.46) FFAR1CXCR2CXCR1SMN1; SMN2
SCHEMBL8417976 0.74 PPARA (0.42) PTGDRPTGDR2FFAR1PPARAALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5919793-A QUINUCLIDINE DERIVATIVES, SQUALENE SYNTHETASE INHIBITORS, ANTICHOLESTEROL AGENTS ZENECA LIMITED (GB) 1999-07-06 US disclosed
EP-0696284-A1 HETEROCYCLIC DERIVATIVES ZENECA LIMITED (GB) 1996-02-14 EP disclosed
WO-1994025459-A1 HETEROCYCLIC DERIVATIVES ZENECA LIMITED (GB) 1994-11-10 WO disclosed