SCHEMBL8539830

SCHEMBL8539830

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

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
THRB P10828 7/20 0.37
EGLN1 Q9GZT9 2/20 0.35
CCR2 P41597 3/20 0.34
CNR2 P34972 3/20 0.32
DDR1 Q08345 3/20 0.32
CNR1 P21554 1/20 0.32
S1PR1 P21453 1/20 0.30

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
SCHEMBL8537724 0.96 THRB (0.41) THRBEGLN1CCR2CNR2CNR1
SCHEMBL8539428 0.95 THRB (0.43) THRBEGLN1CNR2
SCHEMBL8542924 0.92 EGLN1 (0.40) THRBEGLN1CCR2DDR1
SCHEMBL8541620 0.88 DDR1 (0.39) EGLN1CCR2DDR1
SCHEMBL8539475 0.87 THRB (0.35) THRBEGLN1CCR2CNR2DDR1
SCHEMBL8538460 0.84 THRB (0.39) THRBEGLN1CCR2CNR2CNR1
SCHEMBL8537164 0.82 THRB (0.41) THRBCNR2
SCHEMBL6937451 0.82 SLC9A1 (0.37)
SCHEMBL8541505 0.81 DDR1 (0.32) CCR2CNR2DDR1
SCHEMBL8542629 0.80 THRB (0.39) THRB

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