SCHEMBL9842852

SCHEMBL9842852

C/C=C/C(=O)Oc1ccccc1C(C)CCCCCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 2/20 0.44
THRB P10828 2/20 0.44
PPARG P37231 2/20 0.42
ZDHHC2 Q9UIJ5 1/20 0.41
PTGS2 P35354 5/20 0.40
ALDH1A1 P00352 1/20 0.39
CYSLTR2 Q9NS75 2/20 0.38
CYSLTR1 Q9Y271 2/20 0.38
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
POLM Q9NP87 1/20 0.37
POLK Q9UBT6 1/20 0.37
POLL Q9UGP5 1/20 0.37
POLH Q9Y253 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
RECQL P46063 1/20 0.36
NR1I2 O75469 1/20 0.36

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
SCHEMBL9842860 1.00 THRA (0.44) THRATHRBPPARGZDHHC2PTGS2
SCHEMBL7184571 0.83 PPARG (0.40) THRATHRBPPARGZDHHC2PTGS2
SCHEMBL7184564 0.83 PPARG (0.40) THRATHRBPPARGZDHHC2PTGS2
SCHEMBL25277132 0.83 PPARG (0.46) PPARGPTGS2ALDH1A1CYSLTR2CYSLTR1
SCHEMBL28036400 0.83 PTGS2 (0.54) PPARGPTGS2ALDH1A1KDM4E
SCHEMBL25270746 0.81 KDM4E (0.44) PPARGPTGS2ALDH1A1CYSLTR2CYSLTR1
SCHEMBL30807076 0.81 PPARG (0.47) PPARGPTGS2ALDH1A1CYSLTR2CYSLTR1
SCHEMBL15167151 0.78 SMN1; SMN2 (0.34) THRATHRBPPARGZDHHC2CYSLTR2
SCHEMBL54669 0.78 SMN1; SMN2 (0.34) THRATHRBPPARGZDHHC2CYSLTR2
SCHEMBL9842856 0.78 ZDHHC2 (0.43) THRATHRBZDHHC2ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107422054-A One detection method for growing tobacco middle nitre benzene bacterium ester residual quantity 云南省烟草农业科学研究院 2017-12-01 CN disclosed
US-4997973-A Ortho-substituted benzyl carboxylates and fungicides containing these compounds BASF AKTIENGESELLSCHAFT (DE) 1991-03-05 US disclosed
US-4723034-A Stilbene derivatives, and fungicides which contain these compounds BASF AKTIENGESELLSCHAFT (DE) 1988-02-02 US disclosed
US-4678504-A O-substituted 3-oxypridinium salts, their preparation and their use as fungicides for crop protection BASF AKTIENGESELLSCHAFT (DE) 1987-07-07 US disclosed
EP-0196524-A2 Phenoxyalkylaminopyrimidine derivatives, their preparation and insecticidal and acaricidal compositions containing them SANKYO COMPANY LIMITED (JP) 1986-10-08 EP disclosed
EP-0103114-A2 Thienopyridine derivatives, their preparation and insecticidal and acaricidal compositions containing them SANKYO COMPANY LIMITED (JP) 1984-03-21 EP disclosed