SCHEMBL5596580

SCHEMBL5596580

OC/C=P(=C\CO)/[SiH2]C(c1ccccc1)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 7/20 0.34
LMNA P02545 1/20 0.32
AOC3 Q16853 2/20 0.32
KDM4E B2RXH2 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HTR2A P28223 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
CYP2C19 P33261 1/20 0.31
CYP2D6 P10635 1/20 0.30
SRC P12931 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
SCHEMBL5596124 0.74 LMNA (0.35) TRPA1LMNAAOC3KDM4EL3MBTL1
SCHEMBL5595943 0.71 TRPA1 (0.35) TRPA1LMNAAOC3KDM4EL3MBTL1
SCHEMBL20568160 0.69 DPP4 (0.39) LMNAHTR2ATAAR1CYP2D6SRC
SCHEMBL5596219 0.68 ALDH1A1 (0.37) TRPA1LMNAKDM4EL3MBTL1HTR2A
SCHEMBL7935090 0.66 LMNA (0.39) TRPA1LMNAKDM4EL3MBTL1HTR2A
SCHEMBL5596091 0.64 LMNA (0.42) LMNAAOC3KDM4EHTR2ATAAR1
SCHEMBL5596479 0.63 ALDH1A1 (0.35) LMNAAOC3KDM4EL3MBTL1CYP2D6
SCHEMBL5613303 0.63 DPP4 (0.33) LMNAKDM4EHTR2ATAAR1CYP2D6
SCHEMBL3454935 0.63 TRPA1 (0.38) TRPA1LMNAKDM4EL3MBTL1HTR2A
SCHEMBL434195 0.62 SRC (0.42) LMNACYP2D6SRC

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7279537-B2 Transition metal complexes and polymerization catalysts SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-10-09 US disclosed
US-20060229195-A1 Transition metal complexes and polymerization catalysts SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-10-12 US disclosed
EP-1557423-A1 TRANSITION METAL COMPLEXES AND POLYMERIZATION CATALYSTS Sumitomo Chemical Company, Limited (JP) 2005-07-27 EP disclosed