SCHEMBL875258

SCHEMBL875258

CC(C)(C)ON=CCNC(=O)c1ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)c2ccccc12

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.32
ACACA Q13085 1/20 0.32
S1PR3 Q99500 1/20 0.31
ORAI1 Q96D31 1/20 0.31

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
SCHEMBL875257 1.00 ACACB (0.32) ACACBACACAS1PR3ORAI1
SCHEMBL875256 1.00 ACACB (0.32) ACACBACACAS1PR3ORAI1
SCHEMBL12503973 0.93 ACACB (0.32) ACACBACACAORAI1
SCHEMBL12503970 0.93 ACACB (0.32) ACACBACACAORAI1
SCHEMBL12503972 0.93 ACACB (0.32) ACACBACACAORAI1
SCHEMBL12503964 0.93 ACACB (0.32) ACACBACACAS1PR3ORAI1
SCHEMBL12503963 0.93 ACACB (0.32) ACACBACACAS1PR3ORAI1
SCHEMBL10072317 0.93 ACACB (0.32) ACACBACACAS1PR3ORAI1
SCHEMBL10072319 0.92 PDK2 (0.32) ORAI1
SCHEMBL10072320 0.89 ORAI1 (0.31) ORAI1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2619189-A1 ISOXAZOLINE OXIMES AS ANTIPARASITIC AGENTS Zoetis LLC (US) 2013-07-31 EP disclosed
WO-2012038851-A1 ISOXAZOLINE OXIMES AS ANTIPARASITIC AGENTS PFIZER INC. (US) 2012-03-29 WO disclosed