SCHEMBL16404640

SCHEMBL16404640

COc1ccc(COC2C(C)OC3COC(C)(C)OC3C2OCc2ccc(OC)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ GLA P06280 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ TACR1 P25103 1/20 0.34
▸ NAAA Q02083 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ IDO1 P14902 2/20 0.33
▸ AGXT P21549 2/20 0.33
▸ MMP1 P03956 1/20 0.33
▸ MMP3 P08254 1/20 0.33
▸ MMP9 P14780 1/20 0.33
▸ ADAM17 P78536 1/20 0.33
▸ REN P00797 2/20 0.33
▸ KDM4E B2RXH2 3/20 0.32
▸ MAPT P10636 2/20 0.32
▸ GJB2 P29033 1/20 0.31
▸ GJA1 P17302 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31

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
SCHEMBL1964688 0.89 KMT2A (0.37) KMT2AMEN1GLANPSR1TACR1
SCHEMBL16560364 0.84 MEN1 (0.34) KMT2AMEN1GLANPSR1TACR1
SCHEMBL15279226 0.82 SLC5A2 (0.32) KMT2AMEN1ALDH1A1
SCHEMBL10892517 0.81 CA1 (0.50) KMT2AMEN1GLANPSR1TACR1
SCHEMBL402934 0.79 TACR1 (0.38) KMT2AMEN1TACR1L3MBTL1REN
SCHEMBL15481393 0.78 L3MBTL1 (0.39) KMT2AMEN1TACR1L3MBTL1MAPT
SCHEMBL25845030 0.78 CA1 (0.34) KMT2AMEN1GLANPSR1NAAA
SCHEMBL10148633 0.78 L3MBTL1 (0.38) KMT2AMEN1L3MBTL1IDO1MAPT
SCHEMBL13380984 0.76 L3MBTL1 (0.48) KMT2AMEN1TACR1L3MBTL1KDM4E
SCHEMBL10148625 0.76 NT5E (0.39) L3MBTL1ALDH1A1

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
EP-2336144-B1 ESTERIFIED ALPHA-GALACTOSYLCERAMIDE RIKEN (JP) 2015-01-21 — — EP disclosed
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