SCHEMBL1020604

SCHEMBL1020604

CC(C)CC1=C(c2ccc(F)cc2)C(=O)CC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 12/20 0.47
PTGS2 P35354 9/20 0.47
HTT P42858 2/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
RIPK3 Q9Y572 1/20 0.33
MAPK14 Q16539 1/20 0.33

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
SCHEMBL1021420 0.83 PTGS2 (0.50) PTGS1PTGS2
SCHEMBL1022376 0.81 PTGS1 (0.50) PTGS1PTGS2HTTUSP2ALDH1A1
SCHEMBL1019980 0.79 PTGS1 (0.48) PTGS1PTGS2HTTUSP2ALDH1A1
SCHEMBL1020338 0.77 HTR2A (0.34) HTR2AHTR2CHTR2B
SCHEMBL1022110 0.76 PTGS1 (0.46) PTGS1PTGS2HTTUSP2ALDH1A1
SCHEMBL1020565 0.75 PTGS1 (0.44) PTGS1PTGS2HTTUSP2ALDH1A1
SCHEMBL16148107 0.74 PTGS1 (0.43) PTGS1PTGS2HTTUSP2ALDH1A1
SCHEMBL1023721 0.74 PTGS2 (0.46) PTGS2ALDH1A1
SCHEMBL1023968 0.73 RARB (0.36) PTGS1PTGS2HTTHTR2A
SCHEMBL1024205 0.72 PTGS1 (0.54) PTGS1PTGS2HTTUSP2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1841729-B1 2-CYCLOPENTEN-1-ONE OXIME DERIVATIVES INHIBITING PRODUCTION OF TNF-ALPHA AMOREPACIFIC CORP (KR) 2011-01-12 EP claimed