SCHEMBL7681912

SCHEMBL7681912

CC1C(=O)N([Si](C)(C)C(C)(C)C)C1Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ELANE P08246 4/20 0.43
CES2 O00748 5/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
EP300 Q09472 1/20 0.36
ABCB1 P08183 2/20 0.35
PLA2G10 O15496 1/20 0.34
PLA2G5 P39877 1/20 0.34
TSHR P16473 1/20 0.34
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
RECQL P46063 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL7681914 1.00 ELANE (0.43) ELANECES2MEN1KMT2AEP300
SCHEMBL7686512 0.84 MEN1 (0.41) ELANECES2MEN1KMT2AEP300
SCHEMBL7686515 0.84 MEN1 (0.41) ELANECES2MEN1KMT2AEP300
SCHEMBL7688537 0.83 CES2 (0.36) ELANECES2MEN1KMT2AEP300
SCHEMBL30259580 0.83 CES2 (0.36) ELANECES2MEN1KMT2AEP300
SCHEMBL7688535 0.83 CES2 (0.36) ELANECES2MEN1KMT2AEP300
SCHEMBL7686176 0.82 ELANE (0.46) ELANECES2MEN1KMT2AEP300
SCHEMBL7686173 0.82 ELANE (0.46) ELANECES2MEN1KMT2AEP300
SCHEMBL30259456 0.73 TSHR (0.39) MEN1KMT2AABCB1TSHR
SCHEMBL7387880 0.73 TSHR (0.39) MEN1KMT2AABCB1TSHR

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