SCHEMBL1711947

SCHEMBL1711947

Cc1ccc(N2C(=O)OC[C@@H]2CCO[Si](C)(C)C(C)(C)C)cc1F

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 13/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
GFER P55789 1/20 0.37
CCR1 P32246 1/20 0.35
CCR2 P41597 1/20 0.35
IDH1 O75874 2/20 0.34
PIK3CA P42336 2/20 0.33
MTOR P42345 2/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 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
SCHEMBL1712069 0.80 QPCT (0.39) QPCT
SCHEMBL583358 0.78 QPCT (0.37) QPCTIDH1PIK3CAMTORHDAC1
SCHEMBL1223966 0.78 CALML3 (0.45)
SCHEMBL8251549 0.78 MAPT (0.39) QPCTCYP1A2CYP3A4CYP2C19GFER
SCHEMBL8259871 0.77 CCR1 (0.41) CYP1A2CYP3A4CYP2C19GFERCCR1
SCHEMBL584451 0.72 PIK3CA (0.42) QPCTPIK3CAMTORHDAC1HDAC8
SCHEMBL3198341 0.69 QPCT (0.32) QPCT
SCHEMBL15873986 0.67 DUT (0.40)
SCHEMBL8256262 0.65 PIK3CA (0.37) QPCTIDH1PIK3CAMTORHDAC1
SCHEMBL13862087 0.65 PIK3CA (0.39) QPCTIDH1PIK3CAMTORHDAC1

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-2344495-A1 TRICYCLIC OXAZOLIDINONE ANTIBIOTIC COMPOUNDS Actelion Pharmaceuticals Ltd. (CH) 2011-07-20 EP disclosed
WO-2010041194-A1 TRICYCLIC OXAZOLIDINONE ANTIBIOTIC COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2010-04-15 WO disclosed