SCHEMBL2173148

SCHEMBL2173148

CCOc1cccc(O)c1-c1c(O)cccc1OCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
MAPT P10636 5/20 0.46
GAA P10253 4/20 0.46
MAPK1 P28482 2/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
GLA P06280 1/20 0.46
PDK2 Q15119 1/20 0.45
LMNA P02545 2/20 0.45
TP53 P04637 2/20 0.45
KDM4E B2RXH2 1/20 0.45
CYP3A4 P08684 1/20 0.45
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
ALOX12 P18054 1/20 0.45
HSD17B10 Q99714 1/20 0.45
ALOX5 P09917 1/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA12 O43570 1/20 0.44
CA7 P43166 1/20 0.44

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
SCHEMBL1978317 0.87 L3MBTL1 (0.47) ALDH1A1MAPTGAAMAPK1L3MBTL1
SCHEMBL3187650 0.87 PDK2 (0.50) ALDH1A1MAPTGAAMAPK1L3MBTL1
SCHEMBL30396958 0.87 PDK2 (0.50) ALDH1A1MAPTGAAMAPK1L3MBTL1
SCHEMBL1053091 0.84 ALDH1A1 (0.58) ALDH1A1MAPTGAAMAPK1L3MBTL1
SCHEMBL28766432 0.84 ADORA3 (0.47) ALDH1A1MAPTGAAMAPK1L3MBTL1
SCHEMBL28950944 0.82 MEN1 (0.39) ALDH1A1MAPTGAAMAPK1L3MBTL1
1-Hydroxy-2-Ethoxybenzene SCHEMBL29579232 0.82 GAA (0.64) ALDH1A1MAPTGAAMAPK1L3MBTL1
1-Hydroxy-2-Ethoxybenzene SCHEMBL28239475 0.82 GAA (0.64) ALDH1A1MAPTGAAMAPK1L3MBTL1
1-Hydroxy-2-Ethoxybenzene SCHEMBL28519 0.82 GAA (0.64) ALDH1A1MAPTGAAMAPK1L3MBTL1
SCHEMBL34475986 0.81 ALDH1A1 (0.45) ALDH1A1MAPTGAAMAPK1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114835751-A Phosphite ester-phosphate ester compound and preparation method and application thereof 江西苏克尔新材料有限公司 2022-08-02 CN disclosed
CN-114832860-A Olefin hydroformylation catalyst composition and preparation method and application thereof 江西苏克尔新材料有限公司 2022-08-02 CN disclosed
EP-2346887-A1 SLURRY PROCESS FOR SYNTHESIS OF BISPHOSPHITES Dow Technology Investments LLC (US) 2011-07-27 EP disclosed
WO-2010042313-A1 SLURRY PROCESS FOR SYNTHESIS OF BISPHOSPHITES DOW TECHNOLOGY INVESTMENTS LLC (US) 2010-04-15 WO disclosed