SCHEMBL19944359

SCHEMBL19944359

C=CC(=O)OC(COc1cccc(OC)c1)COc1cccc(OC)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.52
MTNR1B P49286 5/20 0.52
TSHR P16473 2/20 0.51
MAPK1 P28482 2/20 0.51
LMNA P02545 1/20 0.50
KDM4E B2RXH2 1/20 0.48
POLB P06746 1/20 0.47
ALDH1A1 P00352 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.43
GAA P10253 2/20 0.42
TP53 P04637 1/20 0.41
MAOB P27338 1/20 0.41

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
SCHEMBL11957662 0.89 THRB (0.51) MAPK1LMNAKDM4EALDH1A1TDP1
SCHEMBL19944373 0.86 HPGD (0.47) LMNAKDM4EPOLBTDP1L3MBTL1
SCHEMBL19944466 0.85 CYP2C9 (0.53) MTNR1AMTNR1BTSHRMAPK1KDM4E
SCHEMBL14546502 0.84 HTR1D (0.48) MAPK1LMNAKDM4EALDH1A1TDP1
SCHEMBL4198439 0.84 RXRA (0.46) MRGPRX4
SCHEMBL19944469 0.84 MAPK1 (0.48) TSHRMAPK1KDM4EPOLBALDH1A1
SCHEMBL4186174 0.84 PTPN7 (0.46) MAPK1KDM4EALDH1A1TDP1MRGPRX4
SCHEMBL5085759 0.83 ALDH1A1 (0.45) LMNAKDM4EPOLBALDH1A1MRGPRX4
SCHEMBL4194694 0.83 THRB (0.46) MAPK1LMNAPOLBL3MBTL1GAA
SCHEMBL5088322 0.82 THRB (0.57) MTNR1AMTNR1BLMNAKDM4EPOLB

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