SCHEMBL7473512

SCHEMBL7473512

C[C@](NC(=O)CCc1ccccc1)(C(=O)N[C@H]1C(=O)N[C@@H]1OC1CCCCC1)c1ccc2ccccc2c1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 9/20 0.37
CTSS P25774 8/20 0.37
CTSB P07858 5/20 0.37
CTSL P07711 5/20 0.35
CYP2C19 P33261 2/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
MCHR1 Q99705 4/20 0.34
HCAR2 Q8TDS4 1/20 0.34
EPHX2 P34913 1/20 0.33
EPHX1 P07099 1/20 0.33

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
SCHEMBL7448530 0.86 CTSK (0.42) CTSKCTSSCTSBCTSLCYP2C19
SCHEMBL7448890 0.86 CTSK (0.43) CTSKCTSSCTSBCTSLCYP2C19
SCHEMBL7443864 0.79 TPH1 (0.40) CTSKCTSSCTSLCYP2C19POLB
SCHEMBL7471833 0.79 CTSL (0.40) CTSKCTSSCTSLCYP2C19ALDH1A1
SCHEMBL7479457 0.79 CTSL (0.40) CTSKCTSSCTSLCYP2C19ALDH1A1
SCHEMBL7472071 0.78 POLB (0.34) CYP2C19ALDH1A1POLBGAA
SCHEMBL7471917 0.77 CTSK (0.50) CTSKCTSSCTSBCTSL
SCHEMBL7448507 0.76 KMT2A (0.42) CTSKCTSSCTSLCYP2C19POLB
SCHEMBL7475989 0.73 CTSK (0.54) CTSKCTSSCTSBCTSL
SCHEMBL7444730 0.73 CTSK (0.55) CTSKCTSSCTSBCTSL

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 6 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
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
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