SCHEMBL7702879

SCHEMBL7702879

COc1cc[c]c(-c2cc(C)c(O)c(C)c2)c1-c1cc(C)c(O)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
FYN P06241 2/20 0.37
ALOX5 P09917 3/20 0.37
PTGS1 P23219 2/20 0.37
PTGS2 P35354 2/20 0.37
MGAM O43451 3/20 0.33
GAA P10253 3/20 0.33
SI P14410 3/20 0.33
MGAM2 Q2M2H8 3/20 0.33
EPHX2 P34913 3/20 0.33
HIF1A Q16665 1/20 0.33
EPAS1 Q99814 1/20 0.33
ACHE P22303 1/20 0.33
ELANE P08246 1/20 0.33
TTK P33981 1/20 0.32
SMPD3 Q9NY59 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
SCHEMBL7705602 0.77 ACHE (0.35) MGAMGAASIMGAM2ACHE
SCHEMBL7702832 0.76 MGAM (0.46) MGAMGAASIMGAM2
SCHEMBL7708747 0.75 CYP1A2 (0.47) CA1CA2ALOX5PTGS1PTGS2
SCHEMBL7071376 0.71 PDE4B (0.39) CA1CA2GAA
SCHEMBL7702914 0.70 CA1 (0.45) CA1CA2FYNALOX5PTGS1
SCHEMBL7708151 0.69 CRHR1 (0.38) CA1CA2ALOX5GAA
SCHEMBL8474432 0.68 KDM4E (0.40) PTGS1PTGS2ACHE
SCHEMBL10415602 0.68 TSHR (0.40) FYNALOX5
SCHEMBL16719798 0.67 TDO2 (0.43) CA1CA2SMPD3
SCHEMBL7702845 0.67 PDGFRB (0.38) GAA

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-6358665-B1 ONIUM SALT PRECURSOR FOR GENERATING FLUOROALKYLSULFONATE CLARIANT INTERNATIONAL LTD. (CH) 2002-03-19 US disclosed
EP-1033624-A1 RADIATION-SENSITIVE COMPOSITION OF CHEMICAL AMPLIFICATION TYPE Clariant International Ltd. (CH) 2000-09-06 EP disclosed