SCHEMBL7448496

SCHEMBL7448496

C[C@@H](C(=O)O)N(C(=O)OCc1ccccc1)c1ccc(I)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.39
MAPK1 P28482 1/20 0.39
ABCB1 P08183 1/20 0.39
SLC15A1 P46059 1/20 0.38
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
HSD17B10 Q99714 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CCR6 P51684 1/20 0.37
PAX8 Q06710 1/20 0.37
ATM Q13315 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
SCHEMBL7448490 1.00 ALDH1A1 (0.44) ALDH1A1MAPTHPGDSLC6A2SLC6A3
SCHEMBL10515353 0.90 ALDH1A1 (0.49) ALDH1A1MAPTHPGDSLC6A2SLC6A3
SCHEMBL1812242 0.90 ALDH1A1 (0.49) ALDH1A1MAPTHPGDSLC6A2SLC6A3
SCHEMBL5229233 0.90 ALDH1A1 (0.49) ALDH1A1MAPTHPGDSLC6A2SLC6A3
SCHEMBL7447497 0.87 ALDH1A1 (0.44) ALDH1A1MAPTHPGDSLC6A2SLC6A3
SCHEMBL7447493 0.87 ALDH1A1 (0.44) ALDH1A1MAPTHPGDSLC6A2SLC6A3
SCHEMBL7448004 0.87 PPARG (0.44) ALDH1A1MAPTHPGDSLC6A2SLC6A3
SCHEMBL7448000 0.87 PPARG (0.44) ALDH1A1MAPTHPGDSLC6A2SLC6A3
SCHEMBL11059329 0.85 ALDH1A1 (0.47) ALDH1A1MAPTHPGDSLC6A2SLC6A3
SCHEMBL7445518 0.83 RAB9A (0.46) ALDH1A1MAPTSMN1; SMN2

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