SCHEMBL9826432

SCHEMBL9826432

C=CCN(C(=O)OCc1ccccc1)C(=O)[C@@H](N)CC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.41
HCAR2 Q8TDS4 1/20 0.40
SLC15A1 P46059 2/20 0.39
KMT2A Q03164 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 3/20 0.37
ABCB1 P08183 1/20 0.37
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A3 Q01959 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SLC1A3 P43003 2/20 0.36
SLC1A1 P43005 2/20 0.36
CASP1 P29466 2/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 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
SCHEMBL6671876 0.78 SLC15A1 (0.43) LTA4HSLC15A1KMT2AALDH1A1ABCB1
SCHEMBL3958174 0.77 HCAR2 (0.45) HCAR2KMT2ASMN1; SMN2ALDH1A1MAPK1
SCHEMBL22844787 0.76 ALDH1A1 (0.49) HCAR2KMT2ASMN1; SMN2ALDH1A1ABCB1
SCHEMBL10901317 0.75 SLC15A1 (0.43) LTA4HSLC15A1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL11280290 0.75 SLC15A1 (0.43) LTA4HSLC15A1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL4893004 0.74 HCAR2 (0.49) HCAR2KMT2AALDH1A1MAPK1L3MBTL1
SCHEMBL7314530 0.74 SLC15A1 (0.51) LTA4HSLC15A1ALDH1A1ABCB1SLC1A3
SCHEMBL7314517 0.74 SLC15A1 (0.51) LTA4HSLC15A1ALDH1A1ABCB1SLC1A3
SCHEMBL541750 0.74 HCAR2 (0.51) HCAR2KMT2AALDH1A1MAPK1L3MBTL1
SCHEMBL169622 0.74 LTA4H (0.54) LTA4HSLC15A1KMT2ASMN1; SMN2ALDH1A1

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