SCHEMBL8401392

SCHEMBL8401392

COc1ccc(CO[C@@H]2[C@H](O)[C@H](C)OC(OC)[C@H]2OC(C)=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.43
CYP2D6 P10635 3/20 0.43
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
HIF1A Q16665 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
SLC2A1 P11166 1/20 0.43
LGALS8 O00214 1/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
LGALS9 O00182 2/20 0.38
GJB2 P29033 1/20 0.38
GJA1 P17302 1/20 0.38
CYP3A4 P08684 3/20 0.37
LGALS3 P17931 1/20 0.37
FFAR1 O14842 1/20 0.36

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
SCHEMBL8398372 0.84 LGALS8 (0.42) LGALS8NPC1RAB9AGJB2GJA1
SCHEMBL13129831 0.79 LGALS8 (0.44) ALDH1A1LMNALGALS8LGALS9CYP3A4
SCHEMBL1491891 0.78 CYP3A4 (0.41) SMN1; SMN2CYP2D6MEN1ALDH1A1KMT2A
SCHEMBL1491946 0.77 FGF2 (0.44) CYP2D6ALDH1A1LMNACYP2C9CYP2C19
SCHEMBL13869149 0.76 SSTR5 (0.48) CYP2C19LGALS8LGALS3
SCHEMBL8328990 0.76 SSTR5 (0.48) CYP2C19LGALS8LGALS3
SCHEMBL19226966 0.76 SSTR5 (0.48) CYP2C19LGALS8LGALS3
SCHEMBL12157641 0.74 KMT2A (0.41) SMN1; SMN2MEN1ALDH1A1KMT2ALMNA
SCHEMBL22677785 0.74 SSTR1 (0.46) CYP2D6ALDH1A1KMT2ALMNAMAPK1
SCHEMBL22677717 0.74 SSTR1 (0.46) CYP2D6ALDH1A1KMT2ALMNAMAPK1

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-5874411-A ANTIINFLAMMATORY GLYCOMED INCORPORATED (US) 1999-02-23 US disclosed