SCHEMBL8319755

SCHEMBL8319755

COC1C=C(C=Cc2ccccc2)C=CC1(OC(C)=O)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAPT P10636 5/20 0.34
LMNA P02545 2/20 0.34
POLB P06746 2/20 0.34
KDM4E B2RXH2 2/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 4/20 0.34
MEN1 O00255 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
ALDH1A1 P00352 3/20 0.33
EGFR P00533 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
TRPA1 O75762 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
HSD17B10 Q99714 2/20 0.32
CYP1A2 P05177 1/20 0.32

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
SCHEMBL8319912 0.88 ADORA3 (0.36) GLATDP1MAPTLMNAKDM4E
SCHEMBL8317209 0.76 MAPT (0.36) GLATDP1MAPTLMNAPOLB
SCHEMBL3661471 0.75 CMA1 (0.38) MAPTLMNAPOLBKDM4EHTT
SCHEMBL27844868 0.73 TRPA1 (0.38) MAPTLMNAKDM4EKMT2AMEN1
SCHEMBL10802181 0.71 GLA (0.36) GLATDP1MAPTLMNAPOLB
SCHEMBL10805541 0.70 GLA (0.38) GLATDP1MAPTLMNAPOLB
SCHEMBL27572799 0.66 ALDH1A1 (0.34) MAPTKDM4EKMT2AMEN1ALDH1A1
SCHEMBL17651157 0.66 GLA (0.34) GLATDP1MAPTPOLBKMT2A
SCHEMBL28802491 0.65 MAPT (0.35) GLATDP1MAPTLMNAPOLB
SCHEMBL1507766 0.65 FBP1 (0.36) TDP1LMNAKMT2AMEN1ALDH1A1

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-5989758-A EXHIBIT A LIQUID CRYSTALLINE PHASE AT TIME OF FUSION, WHICH CAN BE FIXED UPON COOLING BELOW THE LIQUID CRYSTALLINE TRANSITION TEMPERATURE; SPECIFIC MONOMERS 4,4'-STILBENEDIOLS, CATECHOLS, AND 4'-HYDROXY-4-STILBENECARBOXYLIC ACIDS NIPPON OIL COMPANY, LIMITED (JP) 1999-11-23 US disclosed