SCHEMBL7972077

SCHEMBL7972077

CCS(=O)(=O)c1ccccc1-c1ccc2c(c1)C=C(C(=O)O)CCS2(=O)=O

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 4/20 0.35
FEN1 P39748 4/20 0.35
NR1I2 O75469 1/20 0.32
HSD11B1 P28845 1/20 0.32
PTGDR2 Q9Y5Y4 2/20 0.32
CCR5 P51681 2/20 0.31
TLR8 Q9NR97 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
SCHEMBL7928263 0.89 F10 (0.34) ALOX5APFEN1
SCHEMBL7972072 0.83 KIF11 (0.37) PTGDR2CCR5
SCHEMBL7929432 0.82 PTGDR2 (0.32) ALOX5APFEN1NR1I2HSD11B1PTGDR2
SCHEMBL7970426 0.81 GRIA2 (0.34) ALOX5APFEN1PTGDR2
SCHEMBL7975087 0.79 PTGS2 (0.37) PTGDR2
SCHEMBL7929501 0.75 MCL1 (0.39) PTGDR2CCR5
SCHEMBL7969133 0.75 CCR2 (0.54) CCR5
SCHEMBL7971896 0.75 MCL1 (0.45) PTGDR2CCR5
SCHEMBL7929430 0.75 PTGS2 (0.36) PTGDR2CCR5
SCHEMBL7931169 0.74 CA12 (0.39) PTGDR2CCR5

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-6235771-B1 AIDS THERPAY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-22 US disclosed