SCHEMBL27448307

SCHEMBL27448307

O=CC1OC(CO)CN1c1ccc(C2CCC(=O)CC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 3/20 0.41
HRH3 Q9Y5N1 1/20 0.33
CYP3A4 P08684 1/20 0.33
THRB P10828 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
F10 P00742 1/20 0.31
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 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
SCHEMBL27311500 0.88 F10 (0.38) ESR2HRH3CYP3A4CYP2C9F10
SCHEMBL27408738 0.88 F10 (0.38) ESR2HRH3CYP3A4CYP2C9F10
SCHEMBL27519051 0.88 F10 (0.38) ESR2HRH3CYP3A4CYP2C9F10
SCHEMBL27310569 0.86 PDE4A (0.38) ESR2HRH3CYP3A4CYP2C9CYP2C19
SCHEMBL27310571 0.86 PDE4A (0.38) ESR2HRH3CYP3A4CYP2C9CYP2C19
SCHEMBL27325072 0.83 LMNA (0.38) ESR2HRH3
SCHEMBL27319008 0.80 PDE4A (0.40) ESR2CYP3A4CYP2C9CYP2C19PDE4A
SCHEMBL27638664 0.78 AKR1C3 (0.30)
SCHEMBL27600870 0.78 AKR1C3 (0.30)
SCHEMBL27524574 0.77 SIRT1 (0.30)

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
CN-1051308-C Oxazolidin-2-one derivatives HOFFMANN LA ROCHE (CH) 2000-04-12 CN disclosed
CN-1109054-A Oxazolidin-2-one derivatives HOFFMANN LA ROCHE (CH) 1995-09-27 CN disclosed