SCHEMBL16199792

SCHEMBL16199792

Cc1cnc(Cl)cc1-c1cc(C(F)(F)F)ccc1CCCC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.50
GCGR P47871 9/20 0.43
RXRA P19793 3/20 0.40
NR1H2 P55055 3/20 0.40
FFAR4 Q5NUL3 2/20 0.40
FFAR1 O14842 2/20 0.40
FFAR2 O15552 1/20 0.40
CYSLTR2 Q9NS75 1/20 0.40
CYSLTR1 Q9Y271 1/20 0.40
GPBAR1 Q8TDU6 1/20 0.39
AGBL2 Q5U5Z8 1/20 0.39
NR1H3 Q13133 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
SCHEMBL1690308 0.79 PTGDR2 (0.62) PTGDR2
SCHEMBL27658661 0.76 GPBAR1 (0.41) GPBAR1
SCHEMBL16199785 0.72 PTGDR2 (0.70) PTGDR2FFAR1
SCHEMBL29633908 0.70 DAO (0.49) PTGDR2RXRANR1H2FFAR4FFAR1
SCHEMBL12835379 0.70 DAO (0.49) PTGDR2RXRANR1H2FFAR4FFAR1
SCHEMBL3928210 0.69 AGBL2 (0.68) PTGDR2RXRANR1H2FFAR4FFAR1
SCHEMBL26679370 0.69 RXRA (0.50) PTGDR2RXRANR1H2FFAR1CYSLTR2
SCHEMBL29009780 0.69 MGLL (0.47) PTGDR2RXRANR1H2FFAR4FFAR1
SCHEMBL11524595 0.68 MGLL (0.47) PTGDR2RXRANR1H2FFAR4FFAR1
SCHEMBL4007916 0.67 FFAR1 (0.58) PTGDR2GCGRRXRAFFAR4FFAR1

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
EP-1611091-B1 Substituted phenylalkanoic acid derivatives and their use for respiratory disease treatment ASTRAZENECA AB (SE) 2014-10-29 EP disclosed