SCHEMBL8004769

SCHEMBL8004769

C=CCOC[C@H](COC(c1ccccc1)(c1ccc(OC)cc1)c1ccc(OC)cc1)OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.37
TBXAS1 P24557 4/20 0.37
CHRM3 P20309 2/20 0.36
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PLA2G2A P14555 2/20 0.35
POLB P06746 1/20 0.35
LTA4H P09960 1/20 0.35
PLA2G10 O15496 1/20 0.35
PLA2G1B P04054 1/20 0.35
PLA2G5 P39877 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 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
SCHEMBL10805897 0.92 ALOX15 (0.34) TDP1L3MBTL1PLA2G2APLA2G10PLA2G1B
SCHEMBL8004766 0.86 PGR (0.32) CHRM3L3MBTL1
SCHEMBL8004773 0.83 BCHE (0.36) NPC1RAB9A
SCHEMBL24763738 0.82 CHRM3 (0.41) AOC3TBXAS1CHRM3TDP1L3MBTL1
SCHEMBL10802176 0.82 CA1 (0.39) TDP1PLA2G2APLA2G10PLA2G1BPLA2G5
SCHEMBL8979338 0.82 MEN1 (0.38) PLA2G2APLA2G10PLA2G1BPLA2G5ALDH1A1
SCHEMBL2769219 0.82 L3MBTL1 (0.40) TBXAS1CHRM3TDP1L3MBTL1POLB
SCHEMBL20742531 0.81 CTSK (0.39) KIF11KCNH2
SCHEMBL20742533 0.81 CTSK (0.39) KIF11KCNH2
SCHEMBL8007610 0.81 CTSK (0.39) KIF11KCNH2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6136790-A MULTIETHER COMPOUNDS AS ANTITICKING AGENTS GLYCOREX AB (SE) 2000-10-24 US disclosed
EP-0671408-A2 Carbohydrate mimetics having anti-adhesive properties HOECHST AKTIENGESELLSCHAFT (DE) 1995-09-13 EP disclosed