SCHEMBL2103123

SCHEMBL2103123

CC(C)(C)C[C@H](Oc1ccc(Cl)cc1I)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 10/20 0.48
PPARG P37231 8/20 0.46
TSHR P16473 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
PTGDR2 Q9Y5Y4 5/20 0.37
GRN P28799 1/20 0.37
SORT1 Q99523 1/20 0.37
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
PTGDR Q13258 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL2103586 0.82 PTGDR2 (0.47) PPARAPPARGPTGDR2KDM4E
SCHEMBL2104209 0.79 TSHR (0.46) PPARAPPARGTSHRHTR2AHTR2C
SCHEMBL3345930 0.77 TSHR (0.69) PPARAPPARGTSHRHTR2AHTR2C
SCHEMBL2099802 0.77 TSHR (0.69) PPARAPPARGTSHRHTR2AHTR2C
SCHEMBL1988977 0.72 PTGDR2 (0.45) PPARAPPARGPTGDR2
SCHEMBL31503199 0.72 PPARA (0.71) PPARAPPARGTSHRHTR2AHTR2C
SCHEMBL2103120 0.71 TSHR (0.47) TSHRHTR2AHTR2CHTR2BPTGDR2
SCHEMBL541271 0.70 PPARA (0.68) PPARAPPARGTSHRHTR2AHTR2C
SCHEMBL9780844 0.70 PPARA (0.68) PPARAPPARGTSHRHTR2AHTR2C
SCHEMBL22805341 0.69 PPARA (0.48) PPARAPPARGTSHRHTR2AHTR2C

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-8163727-B2 Biphenyloxyacetic acid derivatives for the treatment of respiratory disease ASTRAZENECA AB (SE) 2012-04-24 US disclosed