SCHEMBL5550388

SCHEMBL5550388

CC1=C(c2ccc(F)cc2)CCC1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.57
PTGS2 P35354 13/20 0.55
PTGS1 P23219 8/20 0.55
ACHE P22303 1/20 0.39

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
SCHEMBL8266062 0.83 MAPK14 (0.62) MAPK14PTGS2PTGS1ACHE
SCHEMBL2329784 0.77 PTGS2 (0.50) PTGS2PTGS1
SCHEMBL8389316 0.76 MAPK14 (0.64) MAPK14PTGS2PTGS1
SCHEMBL5694270 0.74 MAPK14 (0.62) MAPK14PTGS2PTGS1
SCHEMBL5083262 0.74 MAPK14 (0.57) MAPK14PTGS2PTGS1
SCHEMBL8654831 0.74 PTGS2 (0.60) MAPK14PTGS2PTGS1
SCHEMBL21346789 0.74 MAPK14 (0.52) MAPK14PTGS2PTGS1
SCHEMBL16434857 0.72 HTR2A (0.41) MAPK14PTGS2PTGS1
Hydrochloric Acid SCHEMBL16422861 0.71 HTR2A (0.40) MAPK14PTGS2PTGS1
SCHEMBL6024005 0.71 PTGS2 (0.70) MAPK14PTGS2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1841729-A1 2-CYCLOPENTEN-1-ONE OXIME DERIVATIVES INHIBITING PRODUCTION OF TNF-ALPHA Amorepacific Corporation (KR) 2007-10-10 EP claimed
WO-2006059867-A1 2-CYCLOPENTEN-1-ONE OXIME DERIVATIVES INHIBITING PRODUCTION OF TNF-ALPHA AMOREPACIFIC CORPORATION (KR) 2006-06-08 WO claimed