SCHEMBL2103586

SCHEMBL2103586

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

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 6/20 0.47
PPARA Q07869 4/20 0.41
PPARG P37231 4/20 0.41
ABCB11 O95342 1/20 0.39
FFAR1 O14842 3/20 0.39
HTT P42858 1/20 0.38
MMP1 P03956 1/20 0.38
CYP2C19 P33261 2/20 0.37
MRGPRX4 Q96LA9 1/20 0.37
KDM4E B2RXH2 1/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL2103123 0.82 PPARA (0.48) PTGDR2PPARAPPARGKDM4E
SCHEMBL3343296 0.80 PTGDR2 (0.54) PTGDR2PPARAPPARGABCB11FFAR1
SCHEMBL2103584 0.73 ABCB11 (0.42) PTGDR2PPARGABCB11HTTCYP2C19
SCHEMBL23203532 0.71 PTGDR2 (0.56) PTGDR2PPARAFFAR1MRGPRX4
SCHEMBL5280821 0.71 PTGDR2 (0.63) PTGDR2
SCHEMBL2103588 0.70 KDM4E (0.40) PTGDR2PPARAHTTCYP2C19MRGPRX4
SCHEMBL11440769 0.69 FFAR1 (0.56) PTGDR2PPARAPPARGFFAR1MRGPRX4
SCHEMBL531737 0.67 L3MBTL1 (0.47) PTGDR2HTTCYP2C19KDM4ECYP1A2
SCHEMBL30760989 0.67 L3MBTL1 (0.47) PTGDR2HTTCYP2C19KDM4ECYP1A2
SCHEMBL28037427 0.67 PDE2A (0.36) HTTCYP2C19MRGPRX4KDM4EUSP2

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