SCHEMBL28909469

SCHEMBL28909469

C=C(C)CC1(O)CN(C(=O)OC(C)(C)C)C1.C=C(F)COC1(Cl)CN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 1/20 0.31
F13A1 P00488 1/20 0.30
TGM2 P21980 1/20 0.30
USP2 O75604 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ALOX5AP P20292 1/20 0.30
FEN1 P39748 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
SCHEMBL23150890 0.84 USP2 (0.40) DDB1CRBNUSP2SMN1; SMN2
SCHEMBL21590786 0.80 USP2 (0.39) DDB1CRBNF13A1TGM2USP2
SCHEMBL21590671 0.75 USP2 (0.37) USP2SMN1; SMN2ALOX5APFEN1
SCHEMBL6914197 0.73 USP2 (0.40) DDB1CRBNUSP2SMN1; SMN2
SCHEMBL13661298 0.71 USP2 (0.45) DDB1CRBNUSP2SMN1; SMN2
SCHEMBL21590903 0.70 NR1H2 (0.35) DDB1CRBNF13A1TGM2USP2
SCHEMBL571404 0.70 USP2 (0.42) DDB1CRBNUSP2SMN1; SMN2
SCHEMBL570830 0.70 USP2 (0.42) DDB1CRBNUSP2SMN1; SMN2
SCHEMBL18696436 0.70 USP2 (0.42) USP2SMN1; SMN2ALOX5APFEN1
SCHEMBL31735249 0.69 NR1H2 (0.38) DDB1CRBNUSP2SMN1; SMN2

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-112424196-A Novel isoxazolyl ether derivatives as GABAA alpha 5 PAM 豪夫迈·罗氏有限公司 2021-02-26 CN disclosed