SCHEMBL3690865

SCHEMBL3690865

O=C(NC[C@H](O)CNc1ccc(N2CCOCC2=O)cc1Cl)Oc1ccc(Cl)s1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.46
ABCB11 O95342 1/20 0.46
F2 P00734 1/20 0.46
ST14 Q9Y5Y6 1/20 0.46
CYP3A4 P08684 1/20 0.41
CYP2C8 P10632 1/20 0.41
CYP2C9 P11712 1/20 0.41
KCNH2 Q12809 1/20 0.41

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
SCHEMBL3263562 0.92 F10 (0.50) F10ABCB11F2ST14CYP3A4
SCHEMBL2995671 0.87 F10 (0.59) F10ABCB11F2ST14CYP3A4
SCHEMBL2995676 0.87 F10 (0.59) F10ABCB11F2ST14CYP3A4
SCHEMBL3681045 0.81 F10 (0.47) F10
SCHEMBL2191043 0.79 F10 (0.63) F10ABCB11F2ST14CYP3A4
SCHEMBL2191033 0.79 F10 (0.63) F10ABCB11F2ST14CYP3A4
SCHEMBL3646789 0.78 F10 (0.48) F10F2
SCHEMBL3674517 0.77 F10 (0.63) F10ABCB11F2ST14CYP3A4
SCHEMBL2233431 0.74 F10 (0.67) F10ABCB11F2ST14CYP3A4
SCHEMBL3276611 0.74 F10 (0.67) F10ABCB11F2ST14CYP3A4

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-2167495-A1 SUBSTITUTED OXAZOLIDINONES AND THE USE THEREOF Bayer Schering Pharma AG (DE) 2010-03-31 EP disclosed
WO-2008155034-A1 SUBSTITUTED OXAZOLIDINONES AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-12-24 WO disclosed