SCHEMBL9826306

SCHEMBL9826306

COC1=NOC(CN(C(=O)OCc2ccccc2)C(=O)[C@@H](N)Cc2c[nH]c3ccccc23)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 4/20 0.45
MAPT P10636 3/20 0.43
LMNA P02545 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MPO P05164 1/20 0.43
TSHR P16473 1/20 0.43
BLM P54132 1/20 0.43
PMP22 Q01453 1/20 0.43
HIF1A Q16665 1/20 0.43
MC4R P32245 2/20 0.42
MC5R P33032 1/20 0.42
MC3R P41968 1/20 0.42
ACE P12821 2/20 0.41
MME P08473 1/20 0.41
ECE1 P42892 1/20 0.41
KLK7 P49862 1/20 0.40
TGM2 P21980 2/20 0.40
HSP90AA1 P07900 1/20 0.40

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
SCHEMBL4932065 0.90 TGM2 (0.49) TACR1MAPTLMNAMEN1KMT2A
SCHEMBL4934029 0.89 TACR1 (0.45) TACR1MAPTLMNAMEN1KMT2A
SCHEMBL9825095 0.87 TGM2 (0.37) ACEMMEECE1TGM2LTA4H
SCHEMBL9826384 0.87 TGM2 (0.37) ACEMMEECE1TGM2LTA4H
SCHEMBL9825201 0.80 ITGB3 (0.36) MEN1KMT2ATGM2
SCHEMBL9825861 0.79 TACR1 (0.45) TACR1MAPTLMNAMEN1KMT2A
SCHEMBL9825695 0.78 IARS1 (0.40) MEN1KMT2ATGM2
SCHEMBL9825591 0.77 SLC7A5 (0.36) LMNAMEN1KMT2ATSHRHSP90AA1
SCHEMBL9825852 0.77 ITGB3 (0.35) MEN1KMT2AACEMMEECE1
SCHEMBL9826162 0.76 ITGB3 (0.37) MAPTLMNAMEN1KMT2ATSHR

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