SCHEMBL9825924

SCHEMBL9825924

CC(C)(C)OC(=O)NCC1CC(Cl)=NO1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.45
LMNA P02545 3/20 0.41
ACACB O00763 2/20 0.40
ACACA Q13085 2/20 0.40
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
DRD2 P14416 1/20 0.37
EPHX1 P07099 1/20 0.36
GFER P55789 1/20 0.36
STK17B O94768 1/20 0.36
STK17A Q9UEE5 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL2034511 0.84 MIF (0.43) MIFLMNAACACBACACAHTT
SCHEMBL9826015 0.82 MIF (0.42) MIFLMNAACACBACACAHTT
SCHEMBL12449472 0.80 MIF (0.40) MIFLMNAACACBACACAHTT
SCHEMBL4610456 0.79 MIF (0.40) MIFLMNAACACBACACAHTT
SCHEMBL9825478 0.79 MIF (0.40) MIFLMNAACACBACACAHTT
SCHEMBL590406 0.75 HCRTR2 (0.47) HTTNPSR1DRD2EPHX1TDP1
SCHEMBL590405 0.75 HCRTR2 (0.47) HTTNPSR1DRD2EPHX1TDP1
SCHEMBL2750096 0.75 HCRTR2 (0.47) HTTNPSR1DRD2EPHX1TDP1
SCHEMBL28662054 0.72 HCRTR2 (0.45) HTTEPHX1TDP1HPGD
SCHEMBL28662052 0.72 HCRTR2 (0.45) HTTEPHX1TDP1HPGD

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-0237082-B1 3,5-DISUBSTITUTED 4,5-DIHYDROISOXAZOLES AS TRANSGLUTAMINASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1991-05-29 EP claimed
EP-0237082-A2 3,5-disubstituted 4,5-dihydroisoxazoles as transglutaminase inhibitors SYNTEX (U.S.A.) INC. (US) 1987-09-16 EP claimed