SCHEMBL9147451

SCHEMBL9147451

O=C[C@@H]1OC(c2ccccc2)O[C@H]([C@H](O)CO)[C@@H]1O

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MANBA O00462 1/20 0.35
LMNA P02545 1/20 0.35
THRB P10828 1/20 0.35
HIF1A Q16665 1/20 0.35
SLC5A2 P31639 8/20 0.34
SLC5A1 P13866 2/20 0.33
EPHX1 P07099 1/20 0.33
SIRT1 Q96EB6 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL468525 0.79 SLC5A2 (0.43) MANBASLC5A2SLC5A1EPHX1
SCHEMBL13415299 0.79 SLC5A2 (0.43) MANBASLC5A2SLC5A1EPHX1
SCHEMBL16235720 0.79 MANBA (0.43) MANBALMNATHRBHIF1A
SCHEMBL9809652 0.77 SLC5A2 (0.43) SLC5A2ALDH1A1
SCHEMBL20373569 0.76 EPHX1 (0.34) MANBALMNATHRBHIF1ASLC5A2
SCHEMBL4736780 0.70 MEN1 (0.39) EPHX1ALDH1A1
SCHEMBL2184757 0.70 MEN1 (0.39) EPHX1ALDH1A1
SCHEMBL7149420 0.70 MEN1 (0.39) EPHX1ALDH1A1
SCHEMBL12118236 0.70 EPHX1 (0.35) EPHX1
SCHEMBL12118232 0.70 EPHX1 (0.35) EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0649443-A4 OXAZOLONE DERIVED MATERIALS. LEGOMER PARTNERS LP (US) 1995-11-08 EP disclosed
CN-1105353-A Modular design and synthesis of oxazolone-derived molecules ARQULE PARTNERS L P (US) 1995-07-19 CN disclosed
EP-0649443-A1 OXAZOLONE DERIVED MATERIALS LEGOMER PARTNERS, L.P. (US) 1995-04-26 EP disclosed