SCHEMBL9826136

SCHEMBL9826136

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

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC15A1 P46059 1/20 0.33
LMNA P02545 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ATM Q13315 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
LTA4H P09960 3/20 0.32
ABCB1 P08183 1/20 0.32
LAP3 P28838 1/20 0.32
CTSL P07711 3/20 0.32
CTSS P25774 3/20 0.32
CTSB P07858 2/20 0.32
CTSK P43235 2/20 0.32
ALDH1A1 P00352 1/20 0.31
CYP2C19 P33261 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 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
SCHEMBL9825737 0.93 SLC15A1 (0.34) SLC15A1LMNAL3MBTL1ATMSMN1; SMN2
SCHEMBL9826400 0.89 SLC15A1 (0.36) SLC15A1SMN1; SMN2LTA4HABCB1LAP3
SCHEMBL9825337 0.89 SLC15A1 (0.36) SLC15A1SMN1; SMN2LTA4HABCB1LAP3
SCHEMBL9826252 0.85 SMN1; SMN2 (0.34) LMNAL3MBTL1SMN1; SMN2ALDH1A1CYP2C19
SCHEMBL9825651 0.83 HDAC3 (0.32) L3MBTL1LTA4HCYP2C19
SCHEMBL9825861 0.80 TACR1 (0.45) LMNALTA4H
SCHEMBL9825808 0.77 SLC7A5 (0.35) SLC15A1LMNAATMLTA4HCTSL
SCHEMBL9825547 0.77 KMT2A (0.33)
SCHEMBL4598577 0.76 TGM2 (0.44) SLC15A1L3MBTL1ATMSMN1; SMN2CYP2C19
SCHEMBL9825868 0.76 L3MBTL1 (0.36) SLC15A1LMNAL3MBTL1ATMSMN1; 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