SCHEMBL28058729

SCHEMBL28058729

CCc1cc(C2=NOC(c3cc(Cl)c(Cl)c(Cl)c3)(C(F)(F)F)C2)ccc1C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.34
SSTR5 P35346 3/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
MRGPRX4 Q96LA9 1/20 0.32
SGK1 O00141 1/20 0.32
CAMKK2 Q96RR4 1/20 0.32
DCLRE1B Q9H816 1/20 0.31
ORAI1 Q96D31 1/20 0.31
NEK2 P51955 1/20 0.30
FABP4 P15090 1/20 0.30
RXRA P19793 1/20 0.30
RXRB P28702 1/20 0.30

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
SCHEMBL14727965 0.91 ACLY (0.35) SSTR5CA1CA2SGK1CAMKK2
SCHEMBL14723349 0.88 RXRB (0.43) PDK2CA1CA2RXRARXRB
SCHEMBL14723352 0.88 RXRB (0.43) PDK2CA1CA2RXRARXRB
SCHEMBL1795774 0.83 ACLY (0.33) SSTR5CA1CA2DCLRE1B
SCHEMBL1798784 0.82 GPR52 (0.35) PDK2SSTR5CA1CA2
SCHEMBL3457034 0.82 ACLY (0.35) PDK2SSTR5CA1CA2DCLRE1B
SCHEMBL31589793 0.82 RXRB (0.42) PDK2FABP4RXRARXRB
SCHEMBL1801082 0.82 ACLY (0.33) SSTR5CA1CA2DCLRE1B
SCHEMBL20548328 0.82 PDK2 (0.40) PDK2CA1CA2FABP4RXRA
SCHEMBL20547572 0.82 PDK2 (0.40) PDK2CA1CA2FABP4RXRA

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
CN-104066330-B Isoxazoline derivatives for controlling ectoparasites ANACOR PHARMACEUTICALS, INC. (US) 2016-05-18 CN disclosed