SCHEMBL4306494

SCHEMBL4306494

C=C(C)C(=O)ONC(=O)C(CC)(CCCCCC/C=C\C/C=C\C/C=C\CC)OCCCO

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.37
TRPV1 Q8NER1 3/20 0.36
CNR2 P34972 2/20 0.36
ALDH1A1 P00352 5/20 0.35
F7 P08709 2/20 0.35
F3 P13726 2/20 0.35
MAPT P10636 2/20 0.35
CYP19A1 P11511 2/20 0.35
CYP3A4 P08684 2/20 0.35
ALOX15 P16050 2/20 0.35
HSD17B10 Q99714 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
HPGD P15428 2/20 0.35
OXER1 Q8TDS5 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
FFAR1 O14842 1/20 0.35
NR1I2 O75469 1/20 0.35
LMNA P02545 1/20 0.35
PLA2G1B P04054 1/20 0.35

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
SCHEMBL4308376 0.91 CNR2 (0.42) CNR1TRPV1CNR2ALDH1A1MAPT
SCHEMBL4304480 0.85 CNR2 (0.42) CNR1TRPV1CNR2ALDH1A1MAPT
SCHEMBL356094 0.77 ALDH1A1 (0.43) CNR1ALDH1A1F7F3MAPT
SCHEMBL4315860 0.73 CNR2 (0.40) CNR1TRPV1CNR2ALDH1A1MAPT
SCHEMBL15930625 0.72 ALDH1A1 (0.49) ALDH1A1F7F3MAPTCYP19A1
SCHEMBL244581 0.72 ALDH1A1 (0.40) CNR1TRPV1CNR2ALDH1A1F7
SCHEMBL165280 0.70 ALDH1A1 (0.41) CNR1TRPV1CNR2ALDH1A1F7
SCHEMBL5019733 0.70 ADORA3 (0.51) CNR1ALDH1A1F7F3MAPT
SCHEMBL355187 0.70 KDM4E (0.49) CNR1ALDH1A1F7F3MAPT
SCHEMBL3685317 0.70 ALDH1A1 (0.54) ALDH1A1F7F3MAPTCYP19A1

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
WO-2009146995-A1 MONOMER MIXTURES, POLYMERS AND COATING COMPOSITIONS EVONIK RÖHM GMBH (DE) 2009-12-10 WO disclosed