SCHEMBL27628634

SCHEMBL27628634

Cc1ccc(F)cc1Oc1cc2c(cc1Cl)C=C(C(=O)O)C(C(F)(F)F)O2.[NaH]

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.58
PTGS1 P23219 12/20 0.58

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
SCHEMBL5645634 0.99 PTGS2 (0.60) PTGS2PTGS1
SCHEMBL5647366 0.91 PTGS2 (0.60) PTGS2PTGS1
SCHEMBL5644347 0.91 PTGS2 (0.60) PTGS2PTGS1
SCHEMBL5645647 0.91 PTGS2 (0.60) PTGS2PTGS1
SCHEMBL5664769 0.91 PTGS2 (0.63) PTGS2PTGS1
SCHEMBL5767859 0.90 PTGS2 (0.61) PTGS2PTGS1
SCHEMBL5646205 0.89 PTGS2 (0.47) PTGS2PTGS1
SCHEMBL14460097 0.89 PTGS2 (0.47) PTGS2PTGS1
SCHEMBL5769624 0.89 PTGS2 (0.62) PTGS2PTGS1
SCHEMBL5646685 0.89 PTGS2 (0.62) PTGS2PTGS1

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
CN-1768050-A Benzopyran compounds for the treatment of inflammation PHARMACIA CORP (US) 2006-05-03 CN disclosed