SCHEMBL4463424

SCHEMBL4463424

C=CNC(=O)C(CC)CC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
USP2 O75604 1/20 0.50
CA1 P00915 4/20 0.42
CA2 P00918 4/20 0.42
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
KMT2A Q03164 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 3/20 0.36
LMNA P02545 1/20 0.34
ATM Q13315 1/20 0.34
CYP1A2 P05177 2/20 0.33
CA7 P43166 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CYP3A4 P08684 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
SCHEMBL2940371 0.84 CA2 (0.67) TSHRUSP2CA1CA2KMT2A
SCHEMBL788307 0.79
SCHEMBL22268939 0.76 MME (0.35) TSHRUSP2CA1CA2HDAC7
SCHEMBL12864235 0.74
SCHEMBL35621 0.72
SCHEMBL24878592 0.71 USP2 (0.32) TSHRUSP2CA1CA2KMT2A
SCHEMBL8853384 0.71 TSHR (0.45) TSHRUSP2CA1CA2HTT
SCHEMBL9050077 0.71 HDAC7 (0.43) TSHRCA1CA2HDAC7HDAC8
SCHEMBL9668843 0.70
SCHEMBL29441327 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2024119-A1 PRODUCTION OF METAL NANOPARTICLES FROM PRECURSORS HAVING LOW REDUCTION POTENTIALS Cabot Corporation (US) 2009-02-18 EP disclosed
WO-2007140479-A1 PRODUCTION OF METAL NANOPARTICLES FROM PRECURSORS HAVING LOW REDUCTION POTENTIALS CABOT CORPORATION (US) 2007-12-06 WO disclosed
EP-1828813-A1 POLYMERIZABLE SURFACTANTS AND THEIR USE AS DEVICE FORMING COMONOMERS Bausch & Lomb Incorporated (US) 2007-09-05 EP disclosed
WO-2006076612-A2 A PROCESS FOR MANUFACTURING APPLICATION SPECIFIC PRINTABLE CIRCUITS (ASPC’S) AND OTHER CUSTOM ELECTRONIC DEVICES CABOT CORPORATION (US) 2006-07-20 WO disclosed
WO-2006076611-A2 PRODUCTION OF METAL NANOPARTICLES CABOT CORPORATION (US) 2006-07-20 WO disclosed
WO-2006076603-A2 PRINTABLE ELECTRICAL CONDUCTORS CABOT CORPORATION (US) 2006-07-20 WO disclosed
WO-2006076613-A2 METAL NANOPARTICLE COMPOSITIONS CABOT CORPORATION (US) 2006-07-20 WO disclosed
WO-2006068705-A1 POLYMERIZABLE SURFACTANTS AND THEIR USE AS DEVICE FORMING COMONOMERS BAUSCH & LOMB INCORPORATED (US) 2006-06-29 WO disclosed