SCHEMBL27768658

SCHEMBL27768658

CC(=O)Oc1c(C)n(C(=O)c2csc(OC(F)F)c2)c2cc(Cl)c(O)cc12

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31

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
SCHEMBL27768515 0.89
SCHEMBL27905754 0.89 PTGS1 (0.43) PTGS1PTGS2
SCHEMBL27789986 0.87 PTGS1 (0.31) PTGS1PTGS2
SCHEMBL15062738 0.85
SCHEMBL27789938 0.84 KDM4E (0.30)
SCHEMBL2002852 0.82 PTGS1 (0.50) PTGS1PTGS2
SCHEMBL27790025 0.82
SCHEMBL15062741 0.81
SCHEMBL15062652 0.80
SCHEMBL27768468 0.79 PTGS1 (0.35) PTGS1PTGS2

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-101563337-A Indole compounds MICROBIA INC (US) 2009-10-21 CN disclosed