SCHEMBL10363367

SCHEMBL10363367

CC(C)C[C@H](NC(=O)[C@]1(C(N)=O)CCCN1c1ccccc1C(=O)O)C(=O)NC(=O)CN

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 5/20 0.37
▸ FNTA P49354 3/20 0.37
▸ FNTB P49356 2/20 0.37
▸ PGGT1B P53609 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ ABCC8 Q09428 3/20 0.34
▸ SLC22A1 O15245 1/20 0.34
▸ ABCC3 O15438 1/20 0.34
▸ ABCC4 O15439 1/20 0.34
▸ NR1I2 O75469 1/20 0.34
▸ ABCB11 O95342 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ ADORA3 P0DMS8 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ ADRA1A P35348 1/20 0.34
▸ PTGS2 P35354 1/20 0.34
▸ PDE4D Q08499 1/20 0.34
▸ NR1I3 Q14994 1/20 0.34

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
SCHEMBL10364253 0.88 FNTA (0.39) CTSLFNTAFNTBPGGT1BALDH1A1
SCHEMBL10363306 0.87 CTSL (0.39) CTSLFNTAFNTBPGGT1BALDH1A1
SCHEMBL10364398 0.79 TDP1 (0.37) CTSLFNTAFNTBPGGT1BANPEP
SCHEMBL10364218 0.67 MYC (0.47) ALDH1A1LMNA
SCHEMBL11619882 0.61 ANPEP (0.57) CTSLCTSSANPEP
SCHEMBL28542993 0.60 MYC (0.45) ALDH1A1
SCHEMBL30497600 0.58 GRN (0.54) FNTAFNTBPGGT1BF3
SCHEMBL31746101 0.58 PSMB5 (0.50) CTSLPSMB5PSMB2F3
SCHEMBL10594093 0.57 TAS1R3 (0.45) CTSLALDH1A1CTSS
Glycylleucylphenylalanine SCHEMBL4281374 0.57 ACE (0.62) —

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
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