SCHEMBL7443759

SCHEMBL7443759

O=C(N[C@@H](Cc1ccc(Cl)c(Cl)c1)C(=O)O)OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.60
ITGB3 P05106 8/20 0.56
ITGA2B P08514 7/20 0.56
PPARA Q07869 2/20 0.55
ITGAV P06756 1/20 0.54
TACR1 P25103 3/20 0.53
CTSL P07711 2/20 0.53
CTSB P07858 2/20 0.53
CTSS P25774 2/20 0.53
CTSK P43235 1/20 0.52
TYR P14679 1/20 0.52
OPRK1 P41145 1/20 0.52

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
SCHEMBL7443764 1.00 FPR2 (0.60) FPR2ITGB3ITGA2BPPARAITGAV
SCHEMBL17294499 0.90 CA2 (0.57) ITGB3ITGA2BPPARAITGAVTACR1
SCHEMBL3962601 0.88 TYR (0.55) ITGB3ITGA2BPPARATACR1CTSL
SCHEMBL22444663 0.86 PPARA (0.52) ITGB3ITGA2BPPARAITGAVTACR1
SCHEMBL7307413 0.86 PPARA (0.67) ITGB3ITGA2BPPARATACR1CTSL
SCHEMBL2969722 0.86 PPARA (0.67) ITGB3ITGA2BPPARATACR1CTSL
SCHEMBL9825847 0.86 PPARA (0.67) ITGB3ITGA2BPPARATACR1CTSL
Hypochlorous Acid SCHEMBL7368156 0.85 TACR1 (0.65) ITGB3ITGA2BTACR1CTSLCTSB
SCHEMBL220648 0.85 TACR1 (0.68) ITGB3ITGA2BTACR1CTSLCTSB
SCHEMBL219151 0.85 TACR1 (0.68) ITGB3ITGA2BTACR1CTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0950046-B1 3,4-DISUBSTITUTED AZETIDIN-2-ONE DERIVATIVES USEFUL AS CYSTEINE PROTEINASE REGULATORS NAEJA PHARMACEUTICAL INC (CA) 2002-04-10 EP claimed
EP-0950046-A1 3,4-DISUBSTITUTED AZETIDIN-2-ONE DERIVATIVES USEFUL AS CYSTEINE PROTEINASE REGULATORS SYNPHAR LABORATORIES INC. (CA) 1999-10-20 EP claimed
US-5959123-A REACATING SUBSTITUTED AMINO ACID WITH 3-AMINO-4-SUBSTITUTED-AZETIDINE-2-ONE COMPOUND TO FORM 3, 4-DISUBSTITUTED-AZETIDINE-2-ONE COMPOUND; USEFUL FOR TREATING MUSCULAR DYSTROPHY, ARTHRITIS, VIRAL AND PARASITIC INFECTIONS SYNPHAR LABORATORIES, INC. (CA) 1999-09-28 US claimed
WO-1998012176-A1 3,4-DISUBSTITUTED AZETIDIN-2-ONE DERIVATIVES USEFUL AS CYSTEINE PROTEINASE REGULATORS SYNPHAR LABORATORIES INC. (US) 1998-03-26 WO claimed
EP-0950046-B1 3,4-DISUBSTITUTED AZETIDIN-2-ONE DERIVATIVES USEFUL AS CYSTEINE PROTEINASE REGULATORS NAEJA PHARMACEUTICAL INC (CA) 2002-04-10 EP disclosed
EP-0950046-A1 3,4-DISUBSTITUTED AZETIDIN-2-ONE DERIVATIVES USEFUL AS CYSTEINE PROTEINASE REGULATORS SYNPHAR LABORATORIES INC. (CA) 1999-10-20 EP disclosed
US-5959123-A REACATING SUBSTITUTED AMINO ACID WITH 3-AMINO-4-SUBSTITUTED-AZETIDINE-2-ONE COMPOUND TO FORM 3, 4-DISUBSTITUTED-AZETIDINE-2-ONE COMPOUND; USEFUL FOR TREATING MUSCULAR DYSTROPHY, ARTHRITIS, VIRAL AND PARASITIC INFECTIONS SYNPHAR LABORATORIES, INC. (CA) 1999-09-28 US disclosed
WO-1998012176-A1 3,4-DISUBSTITUTED AZETIDIN-2-ONE DERIVATIVES USEFUL AS CYSTEINE PROTEINASE REGULATORS SYNPHAR LABORATORIES INC. (US) 1998-03-26 WO disclosed