SCHEMBL7147352

SCHEMBL7147352

CC(C)(C)c1ccc2c(c1)OC(C(F)(F)C(F)(F)F)C(OC(=O)O)=C2

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 15/20 0.38
PTGS1 P23219 7/20 0.38
CA12 O43570 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
LMNA P02545 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PDK1 Q15118 1/20 0.32
PDK2 Q15119 1/20 0.32
PDK3 Q15120 1/20 0.32
PDK4 Q16654 1/20 0.32

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
SCHEMBL7150453 0.90 PTGS2 (0.41) PTGS2PTGS1
SCHEMBL7147957 0.83 PTGS2 (0.53) PTGS2PTGS1CA12CA2CA9
SCHEMBL6095624 0.81 PTGS2 (0.54) PTGS2PTGS1
SCHEMBL215654 0.81 PTGS2 (0.54) PTGS2PTGS1
SCHEMBL7140520 0.80 PTGS2 (0.52) PTGS2PTGS1
SCHEMBL6094518 0.76 NFKB1 (0.43) PTGS2PTGS1PDK1PDK2PDK3
SCHEMBL7150416 0.75 PTGS2 (0.52) PTGS2PTGS1
SCHEMBL214145 0.74 PTGS2 (0.64) PTGS2PTGS1
SCHEMBL6093423 0.74 PTGS2 (0.64) PTGS2PTGS1
SCHEMBL7149758 0.73 PTGS2 (0.53) 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