SCHEMBL8370771

SCHEMBL8370771

CCCCCC=C1CCC(O)CC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.38
TYR P14679 2/20 0.37
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
SPHK1 Q9NYA1 1/20 0.34
PRKCA P17252 2/20 0.34
CCR6 P51684 1/20 0.33
TSHR P16473 2/20 0.31
ABHD16A O95870 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
TRPV1 Q8NER1 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
SCHEMBL9061037 0.89 DPP7 (0.36) PPARGTYRSPHK1PRKCA
SCHEMBL25426088 0.81 PRKCA (0.36) PPARGTYRNFKB1NFKB2RELA
SCHEMBL258172 0.81
SCHEMBL21300 0.79 TSHR (0.44) PPARGNFKB1NFKB2RELAPRKCA
SCHEMBL15618384 0.79 TSHR (0.44) PPARGNFKB1NFKB2RELAPRKCA
SCHEMBL353470 0.79 TSHR (0.44) PPARGNFKB1NFKB2RELAPRKCA
SCHEMBL14915686 0.79 TSHR (0.44) PPARGNFKB1NFKB2RELAPRKCA
SCHEMBL1797486 0.79 TSHR (0.44) PPARGNFKB1NFKB2RELAPRKCA
SCHEMBL15618662 0.79 TSHR (0.44) PPARGNFKB1NFKB2RELAPRKCA
SCHEMBL5606129 0.79 TSHR (0.44) PPARGNFKB1NFKB2RELAPRKCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5925653-A INSECTICIDES, ACARICIDES AND FUNGICIDES FOR CONTROLLING ENDOPARASITES AND ECTOPARASITES IN THE FIELD OF VETERINARY MEDICINE HOECHST SCHERING AGREVO GMBH (DE) 1999-07-20 US disclosed
EP-0719259-B1 SUBSTITUTED PYRIDINES AND PYRIMIDINES, PROCESS FOR PRODUCING THEM AND THEIR USE AS PESTICIDES AND FUNGICIDES HOECHST SCHERING AGREVO GMBH (DE) 1999-01-20 EP disclosed
US-5595992-A Substituted pyridines and pyrimidines, processes for their preparation and their use as pesticides and fungicides HOECHST SCHERING AGREVO GMBH (DE) 1997-01-21 US disclosed
EP-0719259-A1 SUBSTITUTED PYRIDINES AND PYRIMIDINES, PROCESS FOR PRODUCING THEM AND THEIR USE AS PESTICIDES AND FUNGICIDES Hoechst Schering AgrEvo GmbH (DE) 1996-07-03 EP disclosed
WO-1995007894-A1 SUBSTITUTED PYRIDINES AND PYRIMIDINES, PROCESS FOR PRODUCING THEM AND THEIR USE AS PESTICIDES AND FUNGICIDES HOECHST SCHERING AGREVO GMBH (DE) 1995-03-23 WO disclosed