SCHEMBL7152138

SCHEMBL7152138

CC(C)(C)CC(=O)c1ccc2c(c1)C=C(OC(=O)O)C(C(F)(F)F)O2

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 15/20 0.43
PTGS1 P23219 7/20 0.43
P2RY6 Q15077 5/20 0.38
ADRA2A P08913 2/20 0.38
DRD5 P21918 2/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
DRD1 P21728 1/20 0.38
OPRM1 P35372 1/20 0.38
DRD3 P35462 1/20 0.35

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
SCHEMBL7149491 0.83 KDM4E (0.44) PTGS2PTGS1P2RY6ADRA2ADRD5
SCHEMBL6095489 0.83 PTGS2 (0.64) PTGS2PTGS1
SCHEMBL6092018 0.83 PTGS2 (0.64) PTGS2PTGS1
SCHEMBL7149827 0.81 PTGS2 (0.43) PTGS2PTGS1P2RY6ADRA2ADRD5
SCHEMBL7147957 0.80 PTGS2 (0.53) PTGS2PTGS1P2RY6
SCHEMBL7147733 0.80 PTGS2 (0.66) PTGS2PTGS1P2RY6DRD5DRD3
SCHEMBL7147955 0.80 PTGS2 (0.42) PTGS2PTGS1P2RY6ADRA2ADRD5
SCHEMBL7145968 0.79 PTGS2 (0.52) PTGS2PTGS1P2RY6ADRA2ADRD5
SCHEMBL7146261 0.78 PTGS2 (0.53) PTGS2PTGS1P2RY6ADRA2ADRD5
SCHEMBL7146353 0.77 PTGS2 (0.66) PTGS2PTGS1P2RY6ADRA2ADRD5

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