SCHEMBL8469404

SCHEMBL8469404

COc1ccc(CO[C@@H]2[C@H](OCc3ccccc3)[C@H](C)O[C@H](Sc3ccccc3)[C@H]2OCc2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.40
TACR1 P25103 1/20 0.39
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ABCB1 P08183 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
MEN1 O00255 1/20 0.35
BCHE P06276 1/20 0.35
KMT2A Q03164 1/20 0.35
PDPK1 O15530 1/20 0.35
MTOR P42345 1/20 0.35
KCNA5 P22460 1/20 0.34
IDO1 P14902 1/20 0.34
AGXT P21549 1/20 0.34
HTT P42858 1/20 0.34
SLC5A1 P13866 1/20 0.34
SLC5A2 P31639 1/20 0.34
SSTR1 P30872 1/20 0.34

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
SCHEMBL8398371 0.92 REN (0.37) LTA4HTACR1TDP1L3MBTL1ABCB1
SCHEMBL8401558 0.92 REN (0.37) LTA4HTACR1TDP1L3MBTL1ABCB1
SCHEMBL584139 0.91 PDPK1 (0.40) TACR1BCHEPDPK1MTORSSTR1
SCHEMBL13858947 0.91 PDPK1 (0.40) TACR1BCHEPDPK1MTORSSTR1
SCHEMBL13775043 0.91 PDPK1 (0.40) TACR1BCHEPDPK1MTORSSTR1
SCHEMBL19669778 0.91 PDPK1 (0.40) TACR1BCHEPDPK1MTORSSTR1
SCHEMBL8399929 0.87 REN (0.39) TACR1TDP1NPC1RAB9AKCNA5
SCHEMBL584260 0.86 TACR1 (0.38) TACR1NPC1RAB9APDPK1MTOR
SCHEMBL7997389 0.86 SLC5A2 (0.40) LTA4HTACR1TDP1L3MBTL1SLC5A1
SCHEMBL7552425 0.86 SLC5A2 (0.40) LTA4HTACR1TDP1L3MBTL1SLC5A1

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-5869460-A ANTIINFLAMMATORY AGENTS SANWA KAGUKU KENKYUSHO CO., LTD. (JP) 1999-02-09 US disclosed