SCHEMBL10364374

SCHEMBL10364374

CC(C)C[C@H](NC(=O)[C@@H]1CCCN1)C(=O)O.O=C(O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSC P53634 3/20 0.59
LMNA P02545 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
REN P00797 1/20 0.52
MME P08473 2/20 0.51
EED O75530 1/20 0.50
MAPK1 P28482 1/20 0.49
PSMB5 P28074 2/20 0.49
LTA4H P09960 1/20 0.49
ACE P12821 1/20 0.49
FOLH1 Q04609 1/20 0.49

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
SCHEMBL29958630 0.95 REN (0.58) CTSCRENMMEEEDPSMB5
SCHEMBL30052854 0.95 CTSC (0.56) CTSCLMNATDP1RENMME
SCHEMBL28122660 0.92 CTSC (0.68) CTSCLMNATDP1MMEACE
SCHEMBL21808154 0.92 CTSC (0.68) CTSCLMNATDP1MMEACE
SCHEMBL11187709 0.92 CTSC (0.68) CTSCLMNATDP1MMEACE
SCHEMBL28122659 0.92 CTSC (0.68) CTSCLMNATDP1MMEACE
SCHEMBL601567 0.92 CTSC (0.68) CTSCLMNATDP1MMEACE
SCHEMBL31026629 0.92 CTSC (0.68) CTSCLMNATDP1MMEACE
SCHEMBL601566 0.92 CTSC (0.68) CTSCLMNATDP1MMEACE
SCHEMBL3008134 0.92 CTSC (0.68) CTSCLMNATDP1MMEACE

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0147211-B1 4H-3,1-BENZOXAZIN-4-ONES AND RELATED COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESSES FOR THEIR PREPARATION SYNTEX (U.S.A.) INC. (US) 1990-09-12 EP disclosed
US-4657893-A ANTIINFLAMMATORY AGENTS SYNTEX (U.S.A.) INC. (US) 1987-04-14 US disclosed
EP-0147211-A2 4H-3,1-benzoxazin-4-ones and related compounds, pharmaceutical compositions containing them, and processes for their preparation SYNTEX (U.S.A.) INC. (US) 1985-07-03 EP disclosed