SCHEMBL9825696

SCHEMBL9825696

COC1=NOC(CN(C(=O)c2ccccc2)C(=O)[C@@H](N)Cc2ccccc2)C1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 3/20 0.38
ALPI P09923 1/20 0.38
PKM P14618 1/20 0.38
PTGS1 P23219 1/20 0.38
XIAP P98170 1/20 0.38
TPH1 P17752 6/20 0.34
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
OXTR P30559 1/20 0.33
AVPR1A P37288 1/20 0.33
MEN1 O00255 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL4598756 0.87 TGM2 (0.42) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL9826384 0.87 TGM2 (0.37) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL9825095 0.87 TGM2 (0.37) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL9825591 0.87 SLC7A5 (0.36) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL9825592 0.85 SLC7A5 (0.40) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL9825201 0.75 ITGB3 (0.36) ITGB3ITGA2BSMN1; SMN2MEN1KMT2A
SCHEMBL9825827 0.75 SLC7A5 (0.39) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL4935929 0.74 TGM2 (0.40) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL9826287 0.74 SLC7A5 (0.37) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL9825692 0.73 TGM2 (0.46) TPH1LMNASMN1; 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 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