SCHEMBL7445227

SCHEMBL7445227

CC(C)Oc1ccc(N(C(=O)CCc2ccccc2)[C@@H](C)C(=O)O)cc1OC(C)C

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.47
PDE4A P27815 2/20 0.46
PDE4B Q07343 2/20 0.46
PDE4C Q08493 2/20 0.46
PDE4D Q08499 2/20 0.46
MLYCD O95822 2/20 0.45
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
FFAR4 Q5NUL3 2/20 0.40
ALOX5 P09917 2/20 0.39
FFAR1 O14842 1/20 0.38
ABCB1 P08183 4/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
HTT P42858 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
APP P05067 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
SCHEMBL7451529 0.87 KMT2A (0.48) AKR1C3MLYCDKMT2AMEN1ALOX5
SCHEMBL7445267 0.81 MLYCD (0.55) MLYCDKMT2AMEN1ALOX5FFAR1
SCHEMBL7451978 0.76 TRPM8 (0.56) MLYCDKDM4EALDH1A1
SCHEMBL7447573 0.76 SMN1; SMN2 (0.50) MLYCDL3MBTL1KDM4EALDH1A1
SCHEMBL7444472 0.70 LMNA (0.47) MLYCDKMT2AMEN1HTTKDM4E
SCHEMBL7447899 0.70 ITGB3 (0.53) AKR1C3KMT2AKDM4E
SCHEMBL7453131 0.68 KMT2A (0.47) MLYCDKMT2AMEN1ALOX5L3MBTL1
SCHEMBL7453130 0.68 KMT2A (0.47) MLYCDKMT2AMEN1ALOX5L3MBTL1
SCHEMBL11883397 0.67 PDE4D (0.49) PDE4DKMT2AKDM4E
SCHEMBL9555055 0.67 ALDH1A1 (0.50) KMT2AMEN1ALOX5HTTALDH1A1

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