SCHEMBL3268947

SCHEMBL3268947

O=C(c1ccc(Cl)cc1)C(O)[C@H]1O[C@H](OCl)C[C@@]1(O)C(=O)c1ccc(Cl)cc1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.30
PTGS2 P35354 1/20 0.30
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
SCHEMBL5971739 0.89 HPGD (0.34) P2RX7PTGS2ALDH1A1
SCHEMBL11350296 0.84 P2RX7 (0.32) P2RX7PTGS2
SCHEMBL8044926 0.84 P2RX7 (0.32) P2RX7PTGS2
SCHEMBL9594501 0.84 P2RX7 (0.32) P2RX7PTGS2
SCHEMBL6142427 0.79 TDP1 (0.34) ALDH1A1
SCHEMBL2476289 0.75 GSK3B (0.32) P2RX7ALDH1A1
SCHEMBL2476284 0.75 GSK3B (0.32) P2RX7ALDH1A1
SCHEMBL8112010 0.74 KMT2A (0.33) P2RX7ALDH1A1
SCHEMBL8112015 0.74 KMT2A (0.33) P2RX7ALDH1A1
SCHEMBL6015178 0.73 PTGS2 (0.30) PTGS2

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-2201020-A2 METHOD OF PRODUCING 2' -DEOXY-5-AZACYTIDINE (DECITABINE) Cilag AG (CH) 2010-06-30 EP disclosed
WO-2009047313-A2 METHOD OF PRODUCING 2' -DEOXY-5-AZACYTIDINE (DECITABINE) CILAG AG (CH) 2009-04-16 WO disclosed