SCHEMBL7448533

SCHEMBL7448533

C[C@@H](C(=O)O)N(C(=O)OCc1ccccc1)c1ccccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
KMT2A Q03164 2/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
LMNA P02545 2/20 0.41
SLC15A1 P46059 1/20 0.41
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ABCB1 P08183 1/20 0.39
ELANE P08246 2/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
P2RX7 Q99572 1/20 0.38
MEN1 O00255 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
SCHEMBL7448539 1.00 ALDH1A1 (0.43) ALDH1A1KMT2ASLC6A2SLC6A3TDP1
SCHEMBL7142898 0.82 SMPD2 (0.43) ALDH1A1KMT2ASLC6A2SLC6A3TDP1
SCHEMBL7448373 0.82 SMPD2 (0.43) ALDH1A1KMT2ASLC6A2SLC6A3TDP1
SCHEMBL10515353 0.82 ALDH1A1 (0.49) ALDH1A1KMT2ASLC6A2SLC6A3TDP1
SCHEMBL5229233 0.82 ALDH1A1 (0.49) ALDH1A1KMT2ASLC6A2SLC6A3TDP1
SCHEMBL1812242 0.82 ALDH1A1 (0.49) ALDH1A1KMT2ASLC6A2SLC6A3TDP1
SCHEMBL7447497 0.82 ALDH1A1 (0.44) ALDH1A1KMT2ASLC6A2SLC6A3TDP1
SCHEMBL7447493 0.82 ALDH1A1 (0.44) ALDH1A1KMT2ASLC6A2SLC6A3TDP1
SCHEMBL11059329 0.80 ALDH1A1 (0.47) ALDH1A1KMT2ASLC6A2SLC6A3TDP1
SCHEMBL5315979 0.79 ALDH1A1 (0.38) ALDH1A1KMT2ASLC6A2SLC6A3TDP1

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