SCHEMBL7446374

SCHEMBL7446374

O=C(N[C@@H](Cc1ccccc1C(F)(F)F)C(=O)O)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.55
ITGB3 P05106 8/20 0.50
ITGA2B P08514 8/20 0.50
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.49
HPGD P15428 1/20 0.49
HTT P42858 1/20 0.49
KMT2A Q03164 1/20 0.49
TACR1 P25103 2/20 0.49
CTSL P07711 2/20 0.48
CTSS P25774 2/20 0.48
CTSB P07858 1/20 0.48
CTSK P43235 1/20 0.48
CTRB1 P17538 2/20 0.48
PPARG P37231 1/20 0.47
PPARA Q07869 1/20 0.47
ALOX15 P16050 1/20 0.47
MME P08473 1/20 0.47

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
SCHEMBL7446370 1.00 TGM2 (0.55) TGM2ITGB3ITGA2BALDH1A1KDM4E
SCHEMBL14233289 1.00 TGM2 (0.55) TGM2ITGB3ITGA2BALDH1A1KDM4E
SCHEMBL14238952 0.88 CTSL (0.53) CTSLCTSSCTSBCTSK
SCHEMBL10254786 0.86 TGM2 (0.51) TGM2ITGB3ALDH1A1KDM4ETACR1
SCHEMBL14233290 0.85 CTSL (0.51) ALDH1A1MEN1KMT2ACTSLCTSS
SCHEMBL10254586 0.84 TGM2 (0.49) TGM2ITGB3TACR1PPARGPPARA
SCHEMBL14438411 0.84 ITGB3 (0.56) ITGB3ITGA2BALDH1A1TACR1CTSL
SCHEMBL7444291 0.84 ITGB3 (0.56) ITGB3ITGA2BALDH1A1TACR1CTSL
SCHEMBL14233291 0.83 CTSB (0.48) TGM2ALDH1A1KDM4EMEN1LMNA
SCHEMBL5089679 0.82 TGM2 (0.50) TGM2ITGB3ITGA2BLMNATACR1

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 7 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
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