SCHEMBL19491098

SCHEMBL19491098

COc1cc([C@H](OC)[C@@H]2CO2)cc(OC)c1OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ SLC6A5 Q9Y345 3/20 0.40
▸ BCHE P06276 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ HTR1A P08908 1/20 0.40
▸ ADRA1D P25100 1/20 0.40
▸ ADRA1A P35348 1/20 0.40
▸ ADRA1B P35368 1/20 0.40
▸ GAA P10253 2/20 0.39
▸ MGAM O43451 1/20 0.39
▸ SI P14410 1/20 0.39
▸ MGAM2 Q2M2H8 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ THRB P10828 1/20 0.39

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
SCHEMBL19490991 1.00 MEN1 (0.43) MEN1KMT2ATDP1SLC6A5BCHE
SCHEMBL16553283 0.86 FAAH (0.44) MEN1KMT2ATDP1SLC6A5BCHE
SCHEMBL17135859 0.86 FAAH (0.44) MEN1KMT2ATDP1SLC6A5BCHE
SCHEMBL16553285 0.86 FAAH (0.44) MEN1KMT2ATDP1SLC6A5BCHE
SCHEMBL17135857 0.86 FAAH (0.44) MEN1KMT2ATDP1SLC6A5BCHE
SCHEMBL16553284 0.86 FAAH (0.44) MEN1KMT2ATDP1SLC6A5BCHE
SCHEMBL17135858 0.86 FAAH (0.44) MEN1KMT2ATDP1SLC6A5BCHE
SCHEMBL19490988 0.84 ALOX5 (0.46) MEN1KMT2ATDP1BCHEALDH1A1
SCHEMBL19490765 0.84 ALOX5 (0.46) MEN1KMT2ATDP1BCHEALDH1A1
SCHEMBL13117260 0.76 PTPN1 (0.37) TDP1MAPK1MAPT

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
US-9795583-B2 Composition for preventing or treating heart disease AMOREPACIFIC CORPORATION (KR) 2017-10-24 — — US disclosed
Send feedback