SCHEMBL7469563

SCHEMBL7469563

O=C(N[C@@H](Cc1ccc(I)cc1)C(=O)O)OCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.63
ITGA2B P08514 8/20 0.63
FPR2 P25090 3/20 0.60
TACR1 P25103 2/20 0.60
CTSL P07711 1/20 0.58
CTSB P07858 1/20 0.58
CTSS P25774 1/20 0.58
CTSK P43235 1/20 0.58
ALDH1A1 P00352 1/20 0.57
ALOX15 P16050 1/20 0.57

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
SCHEMBL23742613 1.00 ITGB3 (0.63) ITGB3ITGA2BFPR2TACR1CTSL
SCHEMBL5887264 0.92 TACR1 (0.60) ITGB3ITGA2BTACR1CTSLCTSB
SCHEMBL5887266 0.92 TACR1 (0.60) ITGB3ITGA2BTACR1CTSLCTSB
SCHEMBL26661077 0.92 TACR1 (0.68) ITGB3ITGA2BTACR1CTSLCTSB
SCHEMBL220648 0.92 TACR1 (0.68) ITGB3ITGA2BTACR1CTSLCTSB
SCHEMBL7372270 0.92 TACR1 (0.68) ITGB3ITGA2BTACR1CTSLCTSB
SCHEMBL219151 0.92 TACR1 (0.68) ITGB3ITGA2BTACR1CTSLCTSB
SCHEMBL479010 0.92 TACR1 (0.68) ITGB3ITGA2BTACR1CTSLCTSB
SCHEMBL5887268 0.90 ALDH1A1 (0.65) TACR1CTSLCTSBCTSSCTSK
SCHEMBL5887270 0.90 ALDH1A1 (0.65) TACR1CTSLCTSBCTSSCTSK

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