SCHEMBL5752293

SCHEMBL5752293

CCOP(=O)(OCC)C(c1ccccc1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.58
ACP3 P15309 3/20 0.54
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
MAPT P10636 2/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
KDM4E B2RXH2 1/20 0.47
NPSR1 Q6W5P4 3/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
GAA P10253 1/20 0.42
CHRNB2 P17787 1/20 0.42
CHRNA4 P43681 1/20 0.42

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
SCHEMBL13321997 0.93 POLB (0.66) POLBACP3MAPTALDH1A1LMNA
SCHEMBL2281034 0.91 POLB (0.68) POLBMAPTALDH1A1LMNAKDM4E
SCHEMBL24406699 0.88 CA12 (0.54) POLBACP3CA12CA1CA2
SCHEMBL6364168 0.87 POLB (0.58) POLBACP3CA12CA1CA2
SCHEMBL23357394 0.84 POLB (0.49) POLBACP3CA12CA1CA2
SCHEMBL13777833 0.84 ACP3 (0.64) POLBACP3CA12CA1CA2
SCHEMBL7868112 0.82 POLB (0.53) POLBACP3MAPTALDH1A1LMNA
SCHEMBL13085138 0.81 POLB (0.53) POLBACP3MAPTALDH1A1LMNA
SCHEMBL15500092 0.81 POLB (0.53) POLBACP3MAPTALDH1A1LMNA
SCHEMBL5752299 0.81 POLB (0.53) POLBACP3CA12CA1CA2

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-1137326-B1 ORGANIC ELECTROLUMINESCENT ELEMENT NIPPON STEEL CHEMICAL CO (JP) 2006-07-05 EP disclosed
EP-1137326-A1 ORGANIC ELECTROLUMINESCENT ELEMENT Nippon Steel Chemical Co., Ltd. (JP) 2001-09-26 EP disclosed