SCHEMBL9826400

SCHEMBL9826400

CCC1=NOC(CN(C(=O)OCc2ccccc2)C(=O)[C@H](N)Cc2ccccc2)C1S

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC15A1 P46059 1/20 0.36
LTA4H P09960 2/20 0.34
ABCB1 P08183 2/20 0.34
LAP3 P28838 1/20 0.34
ALDH1A1 P00352 1/20 0.33
ALPI P09923 1/20 0.33
PKM P14618 1/20 0.33
PTGS1 P23219 1/20 0.33
XIAP P98170 1/20 0.33
SLC7A5 Q01650 1/20 0.33
DAGLA Q9Y4D2 1/20 0.32
IDO1 P14902 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CTRB1 P17538 2/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM1A O60341 1/20 0.31
MAOA P21397 1/20 0.31
CTSL P07711 1/20 0.31
CTSB P07858 1/20 0.31

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
SCHEMBL9825337 1.00 SLC15A1 (0.36) SLC15A1LTA4HABCB1LAP3ALDH1A1
SCHEMBL9826136 0.89 SLC15A1 (0.33) SLC15A1LTA4HABCB1LAP3ALDH1A1
SCHEMBL9825808 0.88 SLC7A5 (0.35) SLC15A1LTA4HALDH1A1ALPIPKM
SCHEMBL9825737 0.87 SLC15A1 (0.34) SLC15A1ABCB1SMN1; SMN2MEN1KMT2A
SCHEMBL9825547 0.87 KMT2A (0.33) KMT2A
SCHEMBL9825861 0.87 TACR1 (0.45) LTA4HMEN1KMT2A
SCHEMBL9826160 0.86 SLC7A5 (0.38) SLC15A1LTA4HALDH1A1ALPIPKM
SCHEMBL9826252 0.85 SMN1; SMN2 (0.34) ALDH1A1PKMSMN1; SMN2
SCHEMBL4934993 0.75 TGM2 (0.49) SLC15A1LTA4HABCB1LAP3ALPI
SCHEMBL4934061 0.75 TGM2 (0.49) SLC15A1LTA4HABCB1LAP3ALPI

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