SCHEMBL7149833

SCHEMBL7149833

O=C(O)OC1=Cc2ccc3ccccc3c2OC1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
NFKB1 P19838 4/20 0.35
NFKB2 Q00653 4/20 0.35
RELA Q04206 4/20 0.35
PTGS2 P35354 13/20 0.35
PTGS1 P23219 8/20 0.35
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP19A1 P11511 1/20 0.33

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
SCHEMBL6092012 0.81 PTGS2 (0.53) PTGS2PTGS1
SCHEMBL6095372 0.81 PTGS2 (0.53) PTGS2PTGS1
SCHEMBL7142807 0.78 P2RY6 (0.38) PTGS2PTGS1
SCHEMBL7142828 0.78 PTGS2 (0.47) PTGS2PTGS1
SCHEMBL7148749 0.77 PTGS2 (0.41) PTGS2PTGS1
SCHEMBL7149908 0.77 PTGS1 (0.47) PTGS2PTGS1
SCHEMBL7149312 0.77 P2RY6 (0.54) PTGS2PTGS1
SCHEMBL7148272 0.77 POLB (0.48) PTGS2PTGS1
SCHEMBL7143134 0.76 P2RY6 (0.50) PTGS2PTGS1KDM4EALDH1A1HPGD
SCHEMBL7145364 0.75 PTGS2 (0.44) 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