SCHEMBL1155720

SCHEMBL1155720

C=C(C)C(=O)OC(CC)(CCCCCCCCCCCCCC)C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
SMPD1 P17405 4/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
MAPT P10636 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CES2 O00748 1/20 0.33
FDPS P14324 1/20 0.33
FAAH O00519 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
SOAT1 P35610 1/20 0.33
SCN5A Q14524 2/20 0.32
SCN9A Q15858 2/20 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
SCHEMBL1155285 1.00 TSHR (0.46) TSHRSMPD1MEN1KMT2ATHRA
SCHEMBL352902 0.93 FAAH (0.45) TSHRMEN1KMT2AMAPTATM
SCHEMBL352903 0.93 FAAH (0.45) TSHRMEN1KMT2AMAPTATM
SCHEMBL355187 0.90 KDM4E (0.49) TSHRMEN1KMT2AMAPTL3MBTL1
SCHEMBL356094 0.82 ALDH1A1 (0.43) TSHRMEN1KMT2AMAPTL3MBTL1
SCHEMBL1949634 0.79 TSHR (0.41) TSHRSMPD1MEN1KMT2ATHRA
SCHEMBL1952391 0.79 TSHR (0.41) TSHRSMPD1MEN1KMT2ATHRA
SCHEMBL1204461 0.78 TSHR (0.51) TSHRMEN1KMT2AMAPTATM
SCHEMBL27511143 0.78 TSHR (0.51) TSHRSMPD1MEN1KMT2AMAPT
SCHEMBL9139957 0.78 TSHR (0.51) TSHRMEN1KMT2AMAPTATM

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
CN-102056982-A Aqueous dispersion comprising at least one alkyd resin EVONIK ROEHM GMBH 2011-05-11 CN disclosed
US-20110039977-A1 AQUEOUS DISPERSIONS COMPRISING AT LEAST ONE ALKYD RESIN EVONIK ROEHM GMBH (DE) 2011-02-17 US disclosed