SCHEMBL5837085

SCHEMBL5837085

C/C=C/C=C/COC(=O)CC(=O)O

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.33
CNR1 P21554 6/20 0.33
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
SOAT1 P35610 1/20 0.33
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
TRPA1 O75762 1/20 0.32
TRPV1 Q8NER1 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
SCHEMBL5837093 1.00 CNR2 (0.33) CNR2CNR1PPARGPPARDPPARA
SCHEMBL5837081 0.90 MGAM (0.41) CNR2CNR1PPARGPPARDPPARA
SCHEMBL16445870 0.83 EGLN1 (0.38) SOAT1
SCHEMBL4876823 0.83 EGLN1 (0.38) SOAT1
SCHEMBL4876815 0.83 EGLN1 (0.38) SOAT1
SCHEMBL3504118 0.80 NAAA (0.36) CNR2CNR1PPARGPPARDPPARA
SCHEMBL4216699 0.80 NAAA (0.36) CNR2CNR1PPARGPPARDPPARA
SCHEMBL4216701 0.80 NAAA (0.36) CNR2CNR1PPARGPPARDPPARA
SCHEMBL20646268 0.78 TSHR (0.46) SOAT1
SCHEMBL8549284 0.78 CNR2 (0.31) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7005521-B1 Catalytic compositions and methods for asymmetric allylic alkylation THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2006-02-28 US disclosed