SCHEMBL7389166

SCHEMBL7389166

CC(C)(C)[C@H](CC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.51
CASP1 P29466 3/20 0.50
CTRB1 P17538 2/20 0.50
ELANE P08246 2/20 0.50
CTSL P07711 2/20 0.50
CTSB P07858 2/20 0.50
CTSS P25774 2/20 0.50
ATM Q13315 1/20 0.50
CTSK P43235 2/20 0.48
SLC15A1 P46059 1/20 0.48
ALDH1A1 P00352 1/20 0.47
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PRTN3 P24158 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
SCHEMBL7681968 1.00 SYK (0.51) SYKCASP1CTRB1ELANECTSL
SCHEMBL12798896 0.91 SYK (0.57) SYKCASP1CTRB1ELANECTSL
SCHEMBL6963239 0.90 CASP1 (0.53) SYKCASP1CTRB1ELANECTSL
SCHEMBL13036482 0.86 CTRB1 (0.59) SYKCTRB1ELANECTSLCTSB
SCHEMBL12142665 0.86 SYK (0.53) SYKCTRB1ELANECTSLCTSB
SCHEMBL12564718 0.86 SYK (0.60) SYKCTRB1ELANECTSLCTSB
SCHEMBL14569563 0.86 CTRB1 (0.59) SYKCTRB1ELANECTSLCTSB
SCHEMBL13219608 0.86 SYK (0.60) SYKCTRB1ELANECTSLCTSB
SCHEMBL21372402 0.86 SYK (0.53) SYKCTRB1ELANECTSLCTSB
SCHEMBL13036484 0.84 CTSK (0.62) SYKELANECTSLCTSBCTSS

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-1021405-B1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF HCMV INFECTIONS BOEHRINGER INGELHEIM CA LTD (CA) 2002-09-25 EP disclosed
US-6242439-B1 Azetidinone derivatives for the treatment of HCMV infections BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2001-06-05 US disclosed
EP-1021405-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF HCMV INFECTIONS BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2000-07-26 EP disclosed
WO-1999018072-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF HCMV INFECTIONS BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 1999-04-15 WO disclosed