SCHEMBL5223725

SCHEMBL5223725

C[C@@H](Oc1ccc(Cl)cc1-c1ccc(C(=O)N2CCCC2)c(C(F)(F)F)c1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 5/20 0.49
ABCB11 O95342 1/20 0.49
TSHR P16473 2/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
LMNA P02545 3/20 0.42
PTGDR Q13258 1/20 0.42
MAPT P10636 1/20 0.42
ALOX12 P18054 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
MC2R Q01718 1/20 0.38
PROKR1 Q8TCW9 2/20 0.37
SLC6A9 P48067 1/20 0.36
SLC6A5 Q9Y345 1/20 0.36
ENPP2 Q13822 1/20 0.36
AKR1C3 P42330 1/20 0.36

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
SCHEMBL2101417 1.00 PTGDR2 (0.49) PTGDR2ABCB11TSHRHTR2AHTR2C
SCHEMBL12086409 0.91 ABCB11 (0.48) PTGDR2ABCB11TSHRHTR2AHTR2C
SCHEMBL2101099 0.88 MC2R (0.41) PTGDR2ABCB11MC2RPROKR1ENPP2
SCHEMBL2103549 0.87 PTGDR2 (0.54) PTGDR2ABCB11TSHRHTR2AHTR2C
SCHEMBL2099785 0.87 PTGDR2 (0.60) PTGDR2TSHRHTR2AHTR2CHTR2B
SCHEMBL2099228 0.86 TSHR (0.52) PTGDR2ABCB11TSHRHTR2AHTR2C
SCHEMBL2099806 0.83 PTGDR2 (0.53) PTGDR2TSHRLMNAPTGDRMAPT
SCHEMBL2103319 0.80 PTGER1 (0.48) MC2RSCN9A
SCHEMBL2102105 0.80 ABCB11 (0.55) PTGDR2ABCB11SLC6A9SCN9AMGLL
SCHEMBL2102477 0.80 ABCB11 (0.55) PTGDR2ABCB11TSHRLMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1784388-A1 BIPHENYLOXYACETIC ACID DERIVATIVES FOR THE TREATMENT OF RESPIRATORY DISEASE AstraZeneca AB (SE) 2007-05-16 EP claimed
WO-2006021759-A1 BIPHENYLOXYACETIC ACID DERIVATIVES FOR THE TREATMENT OF RESPIRATORY DISEASE ASTRAZENECA AB (SE) 2006-03-02 WO claimed