SCHEMBL7682035

SCHEMBL7682035

O=C(CC(Cc1ccccc1)NC(=O)OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 2/20 0.72
TACR1 P25103 2/20 0.53
CTSL P07711 2/20 0.52
CTSK P43235 2/20 0.52
CTSB P07858 1/20 0.52
CTSS P25774 1/20 0.52
CASP1 P29466 3/20 0.52
SLC15A1 P46059 1/20 0.51
ALDH1A1 P00352 2/20 0.51
TRPM8 Q7Z2W7 1/20 0.51
ALOX15 P16050 1/20 0.51
CYP3A4 P08684 1/20 0.51
ITGB3 P05106 1/20 0.51
ITGA2B P08514 1/20 0.51
MAPK1 P28482 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
SYK P43405 1/20 0.50

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
SCHEMBL7682037 1.00 CTRB1 (0.72) CTRB1TACR1CTSLCTSKCTSB
SCHEMBL7280375 0.92 CTRB1 (0.68) CTRB1TACR1CTSLCTSKCTSB
SCHEMBL28184491 0.92 CTRB1 (0.68) CTRB1TACR1CTSLCTSKCTSB
SCHEMBL6157326 0.90 CTRB1 (0.74) CTRB1TACR1CTSLCTSKCTSB
SCHEMBL6157333 0.90 CTRB1 (0.74) CTRB1TACR1CTSLCTSKCTSB
SCHEMBL7360205 0.87 CTRB1 (0.62) CTRB1TACR1CTSLCTSKCTSB
SCHEMBL7360200 0.87 CTRB1 (0.62) CTRB1TACR1CTSLCTSKCTSB
SCHEMBL14119009 0.87 ATM (0.62) CTRB1CTSLCTSKCTSBCTSS
SCHEMBL15928906 0.87 ATM (0.62) CTRB1CTSLCTSKCTSBCTSS
SCHEMBL1823130 0.86 CTRB1 (0.55) CTRB1CTSLCTSKCTSBCTSS

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 2 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