SCHEMBL27849129

SCHEMBL27849129

CCS(=O)(=O)c1ccc(Oc2cc(Cl)ccc2C(C)C(=O)O)c(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 15/20 0.51
MCL1 Q07820 1/20 0.41
FFAR1 O14842 1/20 0.41
TTR P02766 1/20 0.39
CHRM1 P11229 1/20 0.39

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
SCHEMBL28797001 0.89 PTGDR2 (0.46) PTGDR2
SCHEMBL27866133 0.88 PTGDR2 (0.48) PTGDR2MCL1FFAR1TTR
SCHEMBL27849062 0.86 PTGDR2 (0.55) PTGDR2
SCHEMBL1333653 0.84 PTGDR2 (0.58) PTGDR2MCL1TTR
SCHEMBL28330663 0.84 PTGDR2 (0.58) PTGDR2MCL1TTR
SCHEMBL1331643 0.81 PTGDR2 (0.54) PTGDR2
SCHEMBL1333658 0.79 PTGDR2 (0.52) PTGDR2MCL1TTR
SCHEMBL1332548 0.79 PTGDR2 (0.71) PTGDR2
SCHEMBL2392953 0.78 PTGDR2 (0.47) PTGDR2MCL1FFAR1TTRCHRM1
SCHEMBL3928430 0.78 PTGDR2 (0.50) PTGDR2TTR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102557971-A Substituted acids for the treatment of respiratory diseases ASTRAZENECA AB 2012-07-11 CN claimed
CN-101014564-B Substituted acids for the treatment of respiratory diseases ASTRAZENECA AB 2012-05-09 CN claimed
CN-102557971-A Substituted acids for the treatment of respiratory diseases ASTRAZENECA AB 2012-07-11 CN disclosed
CN-101014564-B Substituted acids for the treatment of respiratory diseases ASTRAZENECA AB 2012-05-09 CN disclosed