SCHEMBL9825478

SCHEMBL9825478

CCSC1=NOC(CNC(=O)OC(C)(C)C)C1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.40
HTT P42858 2/20 0.38
ALDH1A1 P00352 5/20 0.37
LMNA P02545 2/20 0.37
MEN1 O00255 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
GFER P55789 1/20 0.36
ACACB O00763 2/20 0.35
ACACA Q13085 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
MAPT P10636 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CKS1B P61024 1/20 0.34
SKP1 P63208 1/20 0.34
SKP2 Q13309 1/20 0.34

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 0.80 MIF (0.43) MIFHTTLMNANPSR1GFER
SCHEMBL9825924 0.79 MIF (0.45) MIFHTTLMNANPSR1GFER
SCHEMBL12449472 0.78 MIF (0.40) MIFHTTALDH1A1LMNAMEN1
SCHEMBL9826015 0.77 MIF (0.42) MIFHTTALDH1A1LMNAMEN1
SCHEMBL4610456 0.77 MIF (0.40) MIFHTTALDH1A1LMNANPSR1
SCHEMBL590406 0.71 HCRTR2 (0.47) HTTALDH1A1MEN1TSHRKMT2A
SCHEMBL2750096 0.71 HCRTR2 (0.47) HTTALDH1A1MEN1TSHRKMT2A
SCHEMBL590405 0.71 HCRTR2 (0.47) HTTALDH1A1MEN1TSHRKMT2A
SCHEMBL28662054 0.68 HCRTR2 (0.45) HTTMEN1TSHRKMT2AL3MBTL1
SCHEMBL28662052 0.68 HCRTR2 (0.45) HTTMEN1TSHRKMT2AL3MBTL1

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 4 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 disclosed
US-4929630-A SKIN DISORDERS, ACNE, 4,5-DIHYDROISOOXAZOLE PEPTIDES SYNTEX (U.S.A.) INC. (US) 1990-05-29 US disclosed
US-4912120-A Containing amine and amide substitution SYNTEX (U.S.A.) INC. (US) 1990-03-27 US disclosed
EP-0237082-A2 3,5-disubstituted 4,5-dihydroisoxazoles as transglutaminase inhibitors SYNTEX (U.S.A.) INC. (US) 1987-09-16 EP disclosed