SCHEMBL8549702

SCHEMBL8549702

CC(C)c1ccccc1NC(=O)/C=C/c1c(O)c(=O)[nH]c2cc(Cl)ccc2c1=O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 1/20 0.41
CFTR P13569 1/20 0.40
ALOX15 P16050 3/20 0.39
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
S1PR4 O95977 1/20 0.38
GAA P10253 1/20 0.38
EGFR P00533 1/20 0.38
CYSLTR2 Q9NS75 1/20 0.37
CYSLTR1 Q9Y271 1/20 0.37

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
SCHEMBL8929959 1.00 LPAR1 (0.41) LPAR1CFTRALOX15GRIN2DGRIN3B
SCHEMBL8548709 0.88 LPAR1 (0.46) LPAR1CFTRALOX15GAACYSLTR1
SCHEMBL8930074 0.88 LPAR1 (0.46) LPAR1CFTRALOX15GAACYSLTR1
SCHEMBL8548936 0.88 MMP1 (0.45) ALOX15GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8930149 0.88 MMP1 (0.45) ALOX15GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8930130 0.83 GPR17 (0.53) ALOX15EGFRCYSLTR2CYSLTR1
SCHEMBL8546223 0.83 GPR17 (0.53) ALOX15EGFRCYSLTR2CYSLTR1
SCHEMBL8549698 0.77 MAPT (0.49) ALOX15EGFR
SCHEMBL8929925 0.77 MAPT (0.49) ALOX15EGFR
SCHEMBL8547103 0.76 GRIN2D (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0702673-B1 BENZ(B)AZEPINE-2,5-DIONES USEFUL IN THE TREATMENT OF NEURODEGENERATIVE DISORDERS ZENECA LTD (GB) 1998-02-25 EP claimed
US-5656626-A NERVOUS SYSTEM OR BRAIN DISORDERS; BENZ(B)AZEPINE ZENECA LIMITED (GB) 1997-08-12 US claimed
EP-0702673-A1 BENZ(B)AZEPINE-2,5-DIONES USEFUL IN THE TREATMENT OF NEURODEGENERATIVE DISORDERS ZENECA LIMITED (GB) 1996-03-27 EP claimed
US-5502048-A CNS, STROKES, HYPOGLYCEMIC AGENTS AND ANTIISCHEMIC AGENTS ZENECA LIMITED (GB) 1996-03-26 US claimed
WO-1994029275-A1 BENZ(B)AZEPINE-2,5-DIONES USEFUL IN THE TREATMENT OF NEURODEGENERATIVE DISORDERS ZENECA LIMITED (GB) 1994-12-22 WO claimed
US-5801168-A NMDA RECEPTOR ANTAGONISTS ZENECA LIMITED (GB) 1998-09-01 US disclosed
US-5656626-A NERVOUS SYSTEM OR BRAIN DISORDERS; BENZ(B)AZEPINE ZENECA LIMITED (GB) 1997-08-12 US disclosed
US-5502048-A CNS, STROKES, HYPOGLYCEMIC AGENTS AND ANTIISCHEMIC AGENTS ZENECA LIMITED (GB) 1996-03-26 US disclosed
WO-1994029275-A1 BENZ(B)AZEPINE-2,5-DIONES USEFUL IN THE TREATMENT OF NEURODEGENERATIVE DISORDERS ZENECA LIMITED (GB) 1994-12-22 WO disclosed