SCHEMBL2103584

SCHEMBL2103584

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.42
PTGDR2 Q9Y5Y4 4/20 0.40
NPSR1 Q6W5P4 1/20 0.38
KDM4E B2RXH2 3/20 0.35
CYP2C19 P33261 2/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
MAPT P10636 2/20 0.35
HTT P42858 2/20 0.35
KMT2A Q03164 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.35
MGLL Q99685 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
SLC6A9 P48067 1/20 0.34
CFTR P13569 1/20 0.33
PPARG P37231 1/20 0.33

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
SCHEMBL3343296 0.83 PTGDR2 (0.54) ABCB11PTGDR2NPSR1KDM4ECYP2C19
SCHEMBL2103120 0.81 TSHR (0.47) PTGDR2NPSR1KDM4ECYP2C19ALDH1A1
SCHEMBL2103586 0.73 PTGDR2 (0.47) ABCB11PTGDR2KDM4ECYP2C19USP2
SCHEMBL2101324 0.72 ABCB11 (0.65) ABCB11PTGDR2CYP2C9PPARG
SCHEMBL2103588 0.69 KDM4E (0.40) PTGDR2KDM4ECYP2C19USP2ALDH1A1
SCHEMBL4007944 0.68 MRGPRX4 (0.51) PTGDR2KMT2AMRGPRX4
SCHEMBL30760989 0.68 L3MBTL1 (0.47) PTGDR2NPSR1KDM4ECYP2C19CYP1A2
SCHEMBL531737 0.68 L3MBTL1 (0.47) PTGDR2NPSR1KDM4ECYP2C19CYP1A2
SCHEMBL28037427 0.68 PDE2A (0.36) NPSR1KDM4ECYP2C19USP2ALDH1A1
SCHEMBL11238875 0.67 TSHR (0.43) KDM4ECYP2C19ALDH1A1HPGDHSD17B10

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