SCHEMBL8539475

SCHEMBL8539475

CCCCS(=O)(=O)c1cc(C)c(C(=O)Cl)cc1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
THRB P10828 7/20 0.35
EGLN1 Q9GZT9 1/20 0.35
CCR2 P41597 3/20 0.34
CNR2 P34972 3/20 0.32
DDR1 Q08345 2/20 0.32
CNR1 P21554 1/20 0.32
PPARD Q03181 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
SCHEMBL8538460 0.96 THRB (0.39) THRBEGLN1CCR2CNR2CNR1
SCHEMBL8537164 0.95 THRB (0.41) THRBCNR2
SCHEMBL8538519 0.92 EGLN1 (0.40) THRBEGLN1CCR2DDR1PPARD
SCHEMBL8540996 0.88 DDR1 (0.39) EGLN1CCR2DDR1
SCHEMBL8539830 0.87 THRB (0.37) THRBEGLN1CCR2CNR2DDR1
SCHEMBL8537724 0.84 THRB (0.41) THRBEGLN1CCR2CNR2CNR1
SCHEMBL8539428 0.82 THRB (0.43) THRBEGLN1CNR2
SCHEMBL6935900 0.82 SLC9A1 (0.51)
SCHEMBL8538211 0.80 SLC9A1 (0.43) THRB
SCHEMBL8541951 0.79 SLC9A1 (0.41) EGLN1

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
US-5744641-A Sulfonyl- or sulfinylbenzoylguanidine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-04-28 US disclosed