SCHEMBL584451

SCHEMBL584451

CC(C)(C)[Si](C)(C)OC[C@@H]1COC(=O)N1c1ccc(OCc2ccccc2)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.42
MTOR P42345 2/20 0.42
QPCT Q16769 10/20 0.41
S1PR5 Q9H228 1/20 0.39
PDE4B Q07343 1/20 0.38
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
GRM2 Q14416 1/20 0.35
ELANE P08246 1/20 0.35
KDM1A O60341 2/20 0.34

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
SCHEMBL583358 0.81 QPCT (0.37) PIK3CAMTORQPCTHDAC1HDAC8
SCHEMBL541588 0.80 GRM2 (0.46) S1PR5GRM2
SCHEMBL1711947 0.72 QPCT (0.38) PIK3CAMTORQPCTHDAC1HDAC8
SCHEMBL3198341 0.72 QPCT (0.32) QPCT
SCHEMBL2108950 0.70 S1PR5 (0.47) S1PR5HDAC1HDAC8HDAC6GRM2
SCHEMBL3206967 0.69 QPCT (0.33) QPCT
SCHEMBL9613257 0.69 NAAA (0.45) PIK3CAMTORS1PR5GRM2
SCHEMBL18202919 0.68 GRM2 (0.49) S1PR5GRM2KDM1A
SCHEMBL541589 0.67 S1PR5 (0.41) S1PR5GRM2KDM1A
SCHEMBL2519644 0.67 FFAR1 (0.41) S1PR5GRM2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2102217-B1 4- (2-OXO-OXAZOLIDIN-3YL)-PHENOXYMETHYLE DERIVATIVEAS AS ANTIBACTERIALS ACTELION PHARMACEUTICALS LTD (CH) 2012-02-15 EP disclosed