SCHEMBL9715091

SCHEMBL9715091

CC(C)CNC(=O)/C=C/CBr

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.53
CNR1 P21554 4/20 0.53
PPARG P37231 2/20 0.53
PPARD Q03181 2/20 0.53
PPARA Q07869 2/20 0.53
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MMP1 P03956 1/20 0.44
MMP8 P22894 1/20 0.44
FAAH O00519 2/20 0.43
CETP P11597 1/20 0.42
EPHX2 P34913 1/20 0.40
TRPV1 Q8NER1 1/20 0.39

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
SCHEMBL9715093 1.00 CNR2 (0.53) CNR2CNR1PPARGPPARDPPARA
SCHEMBL7161352 0.83 CNR2 (0.58) CNR2CNR1PPARGPPARDPPARA
SCHEMBL16135672 0.82 CNR2 (0.54) CNR2CNR1PPARGPPARDPPARA
SCHEMBL10442368 0.80 CNR2 (0.53) CNR2CNR1PPARGPPARDPPARA
SCHEMBL10769556 0.79 CNR2 (0.51) CNR2CNR1PPARGPPARDPPARA
SCHEMBL13460976 0.77 CNR2 (0.50) CNR2CNR1PPARGPPARDPPARA
SCHEMBL26073793 0.77 CNR2 (0.50) CNR2CNR1PPARGPPARDPPARA
SCHEMBL10763922 0.77 CNR2 (0.53) CNR2CNR1PPARGPPARDPPARA
SCHEMBL11466468 0.77 CNR2 (0.62) CNR2CNR1PPARGPPARDPPARA
SCHEMBL11434848 0.77 CNR2 (0.62) CNR2CNR1PPARGPPARDPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0143593-B1 PESTICIDES NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1992-01-02 EP disclosed
US-4736065-A Pesticides NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1988-04-05 US disclosed
EP-0143593-A2 Pesticides NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1985-06-05 EP disclosed