SCHEMBL4315860

SCHEMBL4315860

C=C(C)C(=O)ONC(=O)C(C=CCCCCCCCCCCCCCCCC)(CCC)OCCCO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.40
TRPV1 Q8NER1 3/20 0.40
CNR1 P21554 5/20 0.36
TSHR P16473 2/20 0.36
HRH3 Q9Y5N1 1/20 0.34
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
BLM P54132 2/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
ALOX12 P18054 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GMNN O75496 1/20 0.33
USP2 O75604 1/20 0.33
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL4304480 0.83 CNR2 (0.42) CNR2TRPV1CNR1TSHRHRH3
SCHEMBL4308376 0.81 CNR2 (0.42) CNR2TRPV1CNR1TSHRHRH3
SCHEMBL4308358 0.78 TSHR (0.40) CNR2TRPV1TSHRMEN1MAPT
SCHEMBL4313978 0.76 TSHR (0.40) CNR2TRPV1TSHRMEN1MAPT
SCHEMBL4306494 0.73 CNR1 (0.37) CNR2TRPV1CNR1TSHRALDH1A1
SCHEMBL245905 0.69 CNR2 (0.43) CNR2TRPV1CNR1TSHRMEN1
SCHEMBL245170 0.69 CNR2 (0.43) CNR2TRPV1CNR1TSHRMEN1
SCHEMBL245235 0.69 CNR2 (0.43) CNR2TRPV1CNR1TSHRMEN1
SCHEMBL244705 0.66 CNR2 (0.43) CNR2TRPV1CNR1TSHRMEN1
SCHEMBL244515 0.66 CNR2 (0.43) CNR2TRPV1CNR1TSHRMEN1

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