SCHEMBL1022376

SCHEMBL1022376

CCC1=C(c2ccc(F)cc2)C(=O)CC1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 11/20 0.50
PTGS2 P35354 8/20 0.50
HTT P42858 2/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HSD11B1 P28845 1/20 0.34
EGFR P00533 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
SCHEMBL1019980 0.86 PTGS1 (0.48) PTGS1PTGS2HTTUSP2ALDH1A1
SCHEMBL1022110 0.83 PTGS1 (0.46) PTGS1PTGS2HTTUSP2ALDH1A1
SCHEMBL1020565 0.82 PTGS1 (0.44) PTGS1PTGS2HTTUSP2ALDH1A1
SCHEMBL1025830 0.81 PTGS2 (0.54) PTGS1PTGS2
SCHEMBL1020604 0.81 PTGS1 (0.47) PTGS1PTGS2HTTUSP2ALDH1A1
SCHEMBL1024205 0.76 PTGS1 (0.54) PTGS1PTGS2HTTUSP2ALDH1A1
SCHEMBL1020950 0.75 PTGS1 (0.31) PTGS1PTGS2
SCHEMBL1020949 0.75 PTGS1 (0.31) PTGS1PTGS2
SCHEMBL1340058 0.75 PTGS1 (0.47) PTGS1PTGS2HTTUSP2ALDH1A1
SCHEMBL1276757 0.72 PTGS1 (0.50) 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