SCHEMBL16135672

SCHEMBL16135672

CC/C=C/C(=O)NCC(C)C

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.54
CNR1 P21554 4/20 0.54
PPARG P37231 2/20 0.54
PPARD Q03181 2/20 0.54
PPARA Q07869 2/20 0.54
FAAH O00519 2/20 0.48
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
MMP1 P03956 1/20 0.45
MMP8 P22894 1/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CETP P11597 1/20 0.43
EPHX2 P34913 1/20 0.41
TRPV1 Q8NER1 1/20 0.40

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
SCHEMBL15272492 0.91 CNR2 (0.48) CNR2CNR1PPARGPPARDPPARA
SCHEMBL4205340 0.89 CNR2 (0.57) CNR2CNR1PPARGPPARDPPARA
SCHEMBL13539201 0.86 CNR2 (0.68) CNR2CNR1PPARGPPARDPPARA
SCHEMBL7161352 0.84 CNR2 (0.58) CNR2CNR1PPARGPPARDPPARA
SCHEMBL9715093 0.82 CNR2 (0.53) CNR2CNR1PPARGPPARDPPARA
SCHEMBL10442368 0.82 CNR2 (0.53) CNR2CNR1PPARGPPARDPPARA
SCHEMBL9715091 0.82 CNR2 (0.53) CNR2CNR1PPARGPPARDPPARA
SCHEMBL4876926 0.81 CNR2 (0.74) CNR2CNR1PPARGPPARDPPARA
SCHEMBL4876942 0.81 CNR2 (0.74) CNR2CNR1PPARGPPARDPPARA
SCHEMBL13539199 0.80 CNR2 (0.48) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020045508-A1 TASTE IMPROVING AGENT FOR VEGETABLE OIL/FAT-CONTAINING FOOD OR BEVERAGE AND AROMA COMPOSITION COMPRISING SAME 高砂香料工業株式会社 2020-03-05 WO disclosed
EP-2455363-B1 METHOD FOR MANUFACTURING SPILANTHOL AND INTERMEDIATE MANUFACTURING PRODUCT THEREFOR TAKASAGO PERFUMERY CO LTD (JP) 2014-10-01 EP disclosed