SCHEMBL1021200

SCHEMBL1021200

CCCCC1=C(c2ccc([S+](C)[O-])cc2)C(=O)CC1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.31
PTGS2 P35354 2/20 0.31

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
SCHEMBL1022344 0.81 RARB (0.45)
SCHEMBL1020780 0.80 LMNA (0.32)
SCHEMBL1020779 0.80 LMNA (0.32)
SCHEMBL1022110 0.80 PTGS1 (0.46) PTGS1PTGS2
SCHEMBL1024053 0.79 PTGS2 (0.54) PTGS1PTGS2
SCHEMBL1021752 0.76 RARB (0.55) PTGS1
SCHEMBL1020565 0.75 PTGS1 (0.44) PTGS1PTGS2
SCHEMBL1023950 0.75 PTPN1 (0.42) PTGS1PTGS2
SCHEMBL1023762 0.73 HSD17B1 (0.39) PTGS2
SCHEMBL1022350 0.73 PTGS2 (0.49) PTGS1PTGS2

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