SCHEMBL27648331

SCHEMBL27648331

Cc1ccc(Cc2cc3c(cc2Cl)C=C(C(=O)O)[C@H](C(F)(F)F)O3)cc1.[NaH]

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.67
PTGS1 P23219 13/20 0.67

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
SCHEMBL27648767 1.00 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL5643112 0.99 PTGS2 (0.68) PTGS2PTGS1
SCHEMBL5646231 0.99 PTGS2 (0.68) PTGS2PTGS1
SCHEMBL5645578 0.99 PTGS2 (0.68) PTGS2PTGS1
SCHEMBL27648674 0.90 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL5647673 0.90 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL5648716 0.89 PTGS2 (0.66) PTGS2PTGS1
SCHEMBL5647386 0.89 PTGS2 (0.66) PTGS2PTGS1
SCHEMBL5173741 0.89 PTGS2 (0.69) PTGS2PTGS1
SCHEMBL5168872 0.89 PTGS2 (0.69) 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 2 patents. 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 claimed
CN-1768050-A Benzopyran compounds for the treatment of inflammation PHARMACIA CORP (US) 2006-05-03 CN disclosed