SCHEMBL28023917

SCHEMBL28023917

CC(C)(C)c1ccc2c(c1)C=C(C(=O)O)[C@@H](C(F)(F)F)O2.[KH]

nearest known ligand 0.78

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.78
PTGS1 P23219 9/20 0.78

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
SCHEMBL6092485 0.99 PTGS2 (0.80) PTGS2PTGS1
SCHEMBL6092693 0.99 PTGS2 (0.80) PTGS2PTGS1
SCHEMBL5646530 0.91 PTGS2 (0.80) PTGS2PTGS1
SCHEMBL6093423 0.88 PTGS2 (0.64) PTGS2PTGS1
SCHEMBL214145 0.88 PTGS2 (0.64) PTGS2PTGS1
SCHEMBL5709012 0.88 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL6093607 0.88 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL6092931 0.85 PTGS2 (0.80) PTGS2PTGS1
SCHEMBL6092935 0.85 PTGS2 (0.80) PTGS2PTGS1
SCHEMBL6091737 0.82 PTGS2 (1.00) 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-104870431-A Salt Forms and Crystal Forms ASKAT INC 2015-08-26 CN disclosed