SCHEMBL7447899

SCHEMBL7447899

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

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.53
ITGA2B P08514 2/20 0.53
PTPN1 P18031 2/20 0.52
PTPN2 P17706 1/20 0.52
CDC25B P30305 1/20 0.52
KMT2A Q03164 3/20 0.51
PIN1 Q13526 1/20 0.48
AKR1C3 P42330 1/20 0.47
FPR2 P25090 1/20 0.47
ACE P12821 4/20 0.47
ALPL P05186 1/20 0.45
ALPI P09923 1/20 0.45
ALPG P10696 1/20 0.45
PKM P14618 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
HDAC8 Q9BY41 1/20 0.44
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL5458748 0.81 ITGB3 (0.65) ITGB3ITGA2BPTPN1PTPN2CDC25B
SCHEMBL4153101 0.81 ITGB3 (0.65) ITGB3ITGA2BPTPN1PTPN2CDC25B
SCHEMBL4153095 0.81 ITGB3 (0.65) ITGB3ITGA2BPTPN1PTPN2CDC25B
SCHEMBL4147413 0.77 ITGB3 (0.62) ITGB3ITGA2BPTPN1PTPN2CDC25B
SCHEMBL4147924 0.77 ITGB3 (0.62) ITGB3ITGA2BPTPN1PTPN2CDC25B
SCHEMBL4147927 0.77 ITGB3 (0.62) ITGB3ITGA2BPTPN1PTPN2CDC25B
SCHEMBL4147417 0.77 ITGB3 (0.62) ITGB3ITGA2BPTPN1PTPN2CDC25B
SCHEMBL9440326 0.76 ITGB3 (0.61) ITGB3ITGA2BPTPN1PTPN2CDC25B
SCHEMBL9440322 0.76 ITGB3 (0.61) ITGB3ITGA2BPTPN1PTPN2CDC25B
SCHEMBL5947084 0.75 ITGB3 (0.69) ITGB3ITGA2BPTPN1PTPN2CDC25B

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 4 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 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