SCHEMBL7149407

SCHEMBL7149407

CC(C)(C)c1cc2c(cc1Cl)C=C(OC(=O)O)C(C(F)(F)F)O2

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.69
PTGS1 P23219 12/20 0.69

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
SCHEMBL7144674 1.00 PTGS2 (0.69) PTGS2PTGS1
SCHEMBL7150851 0.90 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL7147371 0.87 PTGS2 (0.64) PTGS2PTGS1
SCHEMBL7140458 0.86 PTGS2 (0.50) PTGS2PTGS1
SCHEMBL7146252 0.85 PTGS2 (0.52) PTGS2PTGS1
SCHEMBL7143503 0.83 PTGS2 (0.58) PTGS2PTGS1
Tigemocoxib SCHEMBL5171872 0.81 PTGS2 (1.00) PTGS2PTGS1
Tigemocoxib SCHEMBL216759 0.81 PTGS2 (1.00) PTGS2PTGS1
Tigemocoxib SCHEMBL30656557 0.81 PTGS2 (1.00) PTGS2PTGS1
Tigemocoxib SCHEMBL29528190 0.81 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
EP-0977748-B1 SUBSTITUTED BENZOPYRAN DERIVATIVES FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 2003-03-26 EP claimed