SCHEMBL6733099

SCHEMBL6733099

CCc1c(B2OC(C)(C)C(C)(C)O2)cccc1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 5/20 0.37
CLCN2 P51788 1/20 0.36
LPL P06858 4/20 0.35
P4HB P07237 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.34
ALDH1A1 P00352 4/20 0.33
ALOX15 P16050 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
UCHL1 P09936 1/20 0.33
FOLH1 Q04609 1/20 0.32
F2 P00734 2/20 0.32
F11 P03951 2/20 0.32
PRSS1 P07477 2/20 0.32
PRSS2 P07478 2/20 0.32
PRSS3 P35030 2/20 0.32
MYC P01106 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
SCHEMBL13970721 0.85 KDM4E (0.40) ALDH1A1KDM4EHSD17B10UCHL1LMNA
SCHEMBL1130915 0.81 ALDH1A1 (0.45) LIPGLPLP4HBALDH1A1ALOX15
SCHEMBL18252680 0.80 ALDH1A1 (0.47) LIPGLPLP4HBALDH1A1ALOX15
SCHEMBL1722016 0.80 TSHR (0.41) LIPGLPLP4HBALDH1A1ALOX15
SCHEMBL28700945 0.79 TSHR (0.47) LIPGLPLP4HBALDH1A1ALOX15
SCHEMBL3185687 0.79 ALB (0.39) LIPGLPLP4HBALDH1A1ALOX15
SCHEMBL18342336 0.79 G6PD (0.46) LIPGLPLP4HBALDH1A1ALOX15
SCHEMBL2414737 0.78 LIPG (0.37) LIPGLPLUCHL1F11
SCHEMBL1293106 0.78 LIPG (0.35) LIPGLPLP4HBALDH1A1TDP1
SCHEMBL28982566 0.78 HSD17B10 (0.49) LIPGLPLP4HBALDH1A1ALOX15

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-6680401-B1 BORON COMPOUNDS SUCH AS 4-(METHOXYMETHYL)-1,3,2-DIOXABOROLANE, USED AS COUPLERS OR CHEMICAL INTERMEDIATES FOR DRUGS, PESTICIDES OR IN COMBINATORIAL CHEMISTRY COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2004-01-20 US claimed