SCHEMBL6967927

SCHEMBL6967927

CSCC1CC(=O)N1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 6/20 0.37
ITGA5 P08648 5/20 0.37
ITGA4 P13612 2/20 0.35
RIPK1 Q13546 1/20 0.33
ITGB3 P05106 1/20 0.31
ITGB2 P05107 1/20 0.31
ITGAV P06756 1/20 0.31
ITGAL P20701 1/20 0.31
HCAR2 Q8TDS4 2/20 0.31
POLB P06746 1/20 0.30
BRD4 O60885 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL6967928 1.00 ITGB1 (0.37) ITGB1ITGA5ITGA4RIPK1ITGB3
SCHEMBL248703 0.74 MME (0.43) ITGB1ITGA5ITGA4RIPK1POLB
SCHEMBL6970938 0.73 KMT2A (0.42) ITGB1ITGA5
SCHEMBL6686977 0.68 POLB (0.36) ITGB1ITGA5ITGA4POLBMAPT
SCHEMBL6972069 0.68 HRH3 (0.39)
SCHEMBL26927141 0.65 ALDH1A1 (0.32) POLB
SCHEMBL6689324 0.64 CA12 (0.47) ITGB1ITGA5MAPT
SCHEMBL1849848 0.63 RIPK1 (0.31) RIPK1
SCHEMBL7386609 0.63 FAAH (0.36)
SCHEMBL7386611 0.63 FAAH (0.36)

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-1023265-B1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF HCMV INFECTIONS BOEHRINGER INGELHEIM CA LTD (CA) 2003-01-15 EP disclosed
US-6211170-B1 Azetidinone derivatives for the treatment of HCMV infections BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2001-04-03 US disclosed