SCHEMBL16549385

SCHEMBL16549385

COc1cc2cc(C(=O)O)c3cc(OC)c(OC)cc3c2cc1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.56
KDM4E B2RXH2 7/20 0.56
HPGD P15428 4/20 0.56
HSD17B10 Q99714 4/20 0.54
LCK P06239 1/20 0.50
FYN P06241 1/20 0.50
PDE3B Q13370 2/20 0.44
PDE3A Q14432 2/20 0.44
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA4 P22748 2/20 0.43
CA6 P23280 2/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43
CA14 Q9ULX7 2/20 0.43
TPMT P51580 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
POLB P06746 2/20 0.43

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
Formic Acid SCHEMBL27904597 0.93 KDM4E (0.50) ALDH1A1KDM4EHPGDHSD17B10LCK
SCHEMBL28018439 0.92 KDM4E (0.49) ALDH1A1KDM4EHPGDHSD17B10LCK
SCHEMBL27784563 0.87 KDM4E (0.57) ALDH1A1KDM4EHPGDHSD17B10LCK
SCHEMBL5615708 0.86 KDM4E (0.63) ALDH1A1KDM4EHPGDHSD17B10LCK
SCHEMBL28676471 0.86 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDHSD17B10LCK
SCHEMBL5009698 0.86 KDM4E (0.54) ALDH1A1KDM4EHPGDHSD17B10CA12
SCHEMBL30159703 0.86 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDHSD17B10LCK
SCHEMBL27999414 0.86 KDM4E (0.50) ALDH1A1KDM4EHPGDHSD17B10LCK
SCHEMBL31510187 0.86 KDM4E (0.50) ALDH1A1KDM4EHPGDHSD17B10LCK
SCHEMBL28017865 0.84 KDM4E (0.55) ALDH1A1KDM4EHPGDHSD17B10CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103130650-A Oxidative coupling preparation of phenanthrene derivative under catalysis of sodium nitrite UNIV NANKAI 2013-06-05 CN claimed
CN-101747201-B Method for preparing ferric trichloride catalytic oxidative coupling phenanthrene derivative UNIV NANKAI 2013-05-01 CN claimed
CN-101747201-A Method for preparing ferric trichloride catalytic oxidative coupling phenanthrene derivative UNIV NANKAI 2010-06-23 CN claimed
CN-110283170-A A kind of compound preparation and its application in inhibition kinds of tumor cells growth 清华大学 2019-09-27 CN disclosed
CN-104412985-B Apply containing luxuriant and rich with fragrance heterocycle compound and preparation method thereof and Antiphytoviral 南开大学 2016-12-28 CN disclosed
CN-104418765-B Aromatic aminomethane compounds and preparation method thereof and Antiphytoviral are applied 南开大学 2016-10-19 CN disclosed
CN-104418765-A Aryl methylamine compound and preparation method thereof and application in resisting plant virus UNIV NANKAI 2015-03-18 CN disclosed
CN-104412985-A Phenanthrene-containing heterocycle compound and preparation method and application in resisting plant virus UNIV NANKAI 2015-03-18 CN disclosed
WO-2015027772-A1 PHENANTHRENE-CONTAINING HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF AS PLANT VIRUCIDES 南开大学 (CN) 2015-03-05 WO disclosed