SCHEMBL5983796

SCHEMBL5983796

CCc1nccn1Cc1cc2c(cc1Cl)C=C(C(=O)O)C(C(F)(F)F)O2

nearest known ligand 0.63

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.63
PTGS1 P23219 13/20 0.63

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
Hydrochloric Acid SCHEMBL5646364 0.99 PTGS2 (0.62) PTGS2PTGS1
SCHEMBL5645112 0.93 PTGS2 (0.69) PTGS2PTGS1
Hydrochloric Acid SCHEMBL5668655 0.92 PTGS2 (0.68) PTGS2PTGS1
SCHEMBL5646503 0.89 PTGS2 (0.49) PTGS2PTGS1
SCHEMBL14440768 0.89 PTGS2 (0.64) PTGS2PTGS1
SCHEMBL5985369 0.86 PTGS2 (0.63) PTGS2PTGS1
Hydrochloric Acid SCHEMBL5644906 0.85 PTGS2 (0.62) PTGS2PTGS1
Trifluoroacetic Acid SCHEMBL5643682 0.85 PTGS2 (0.60) PTGS2PTGS1
SCHEMBL5794033 0.84 PTGS2 (0.58) PTGS2PTGS1
Hydrochloric Acid SCHEMBL5647000 0.83 PTGS2 (0.57) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7259266-B2 Benzopyran compounds useful for treating inflammatory conditions PHARMACIA CORPORATION (US) 2007-08-21 US disclosed
US-7259266-B2 Benzopyran compounds useful for treating inflammatory conditions PHARMACIA CORPORATION (US) 2007-08-21 US disclosed
EP-1615905-A2 BENZOPYRAN COMPOUNDS USEFUL FOR TREATING INFLAMMATORY CONDITIONS Pharmacia Corporation (US) 2006-01-18 EP disclosed
WO-2004087686-A2 BENZOPYRAN COMPOUNDS USEFUL FOR TREATING INFLAMMATORY CONDITIONS PHARMACIA CORPORATION (US) 2004-10-14 WO disclosed