SCHEMBL19944358

SCHEMBL19944358

COc1cccc(OCC(COc2cccc(OC)c2)OC)c1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.62
MAPK1 P28482 2/20 0.62
KDM4E B2RXH2 1/20 0.57
MTNR1A P48039 3/20 0.54
MTNR1B P49286 3/20 0.54
MAOB P27338 7/20 0.53
CYP2C9 P11712 1/20 0.53
LMNA P02545 1/20 0.51
APP P05067 1/20 0.49
TP53 P04637 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL5786398 0.82 MAPK1 (0.64) TSHRMAPK1KDM4EMTNR1AMTNR1B
SCHEMBL10338498 0.82 MAOB (0.56) TSHRMAPK1KDM4EMTNR1AMTNR1B
SCHEMBL19944724 0.80 KDM4E (0.49) TSHRMAPK1KDM4EMAOBCYP2C9
SCHEMBL19944241 0.79 CYP2C9 (0.78) TSHRMAPK1KDM4ECYP2C9APP
SCHEMBL17171595 0.79 LMNA (0.57) TSHRMTNR1AMTNR1BCYP2C9LMNA
SCHEMBL1496491 0.79 TSHR (0.70) TSHRMAPK1KDM4EMTNR1AMTNR1B
SCHEMBL8683292 0.79 TAAR1 (0.61) TSHRMAPK1KDM4EMTNR1AMTNR1B
SCHEMBL29847698 0.79 TSHR (0.70) TSHRMAPK1KDM4EMTNR1AMTNR1B
SCHEMBL11272514 0.79 MAPK1 (0.60) TSHRMAPK1KDM4EMTNR1AMTNR1B
SCHEMBL8683297 0.79 TAAR1 (0.61) TSHRMAPK1KDM4EMTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018041132-A1 MONOMER, POLYMER, PREPARATION METHOD THEREFOR AND USE THEREOF 广东东阳光药业有限公司 2018-03-08 WO disclosed