SCHEMBL4308358

SCHEMBL4308358

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

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
CNR2 P34972 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CES2 O00748 1/20 0.30

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 0.94 CNR2 (0.42) TSHRCNR2TRPV1MEN1MAPT
SCHEMBL4313978 0.93 TSHR (0.40) TSHRCNR2TRPV1MEN1MAPT
SCHEMBL4308376 0.87 CNR2 (0.42) TSHRCNR2TRPV1MEN1MAPT
SCHEMBL4306494 0.78 CNR1 (0.37) TSHRCNR2TRPV1MEN1MAPT
SCHEMBL27556422 0.69 LMNA (0.42) TSHRCNR2TRPV1MEN1MAPT
SCHEMBL2894862 0.69 LMNA (0.42) TSHRCNR2TRPV1MEN1MAPT
SCHEMBL28023359 0.67 CES2 (0.42) TSHRMEN1KMT2ACES2
SCHEMBL30513275 0.67 TSHR (0.53) TSHRCNR2TRPV1MEN1KMT2A
SCHEMBL28023414 0.67 CES2 (0.42) TSHRMEN1KMT2ACES2
SCHEMBL4410570 0.67 TSHR (0.86) TSHRCES2

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