SCHEMBL5344290

SCHEMBL5344290

COC(=O)C1=CCCC=N1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 2/20 0.39
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
LMNA P02545 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
THRB P10828 1/20 0.38
CHRM1 P11229 1/20 0.38
CA1 P00915 4/20 0.38
CA2 P00918 4/20 0.38
CA12 O43570 3/20 0.38
CA7 P43166 3/20 0.38
CA9 Q16790 3/20 0.38
CA14 Q9ULX7 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
BLM P54132 1/20 0.37
MCOLN3 Q8TDD5 1/20 0.37
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 3/20 0.34

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
SCHEMBL18977152 0.78 LMNA (0.46) TSHRLMNATHRBCHRM1TDP1
SCHEMBL10713168 0.76
SCHEMBL4919049 0.72
SCHEMBL10937960 0.70 CHRM3 (0.45) CHRM3TSHRNPSR1LMNACHRM2
SCHEMBL7326077 0.68 NPSR1 (0.35) TSHRNPSR1LMNACA1CA2
SCHEMBL19297097 0.67 NPSR1 (0.34) TSHRNPSR1CA1CA2CA12
SCHEMBL18951902 0.67
SCHEMBL22755784 0.64 NPSR1 (0.32) NPSR1ALDH1A1KDM4E
SCHEMBL43992 0.64
SCHEMBL17049960 0.64 CHRM3 (0.40) CHRM3TSHRNPSR1LMNACHRM2

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
US-7196150-B2 Method for radical polymerisation in the presence of a chain transfer agent BASF AKTIENGESELLSCHAFT (DE) 2007-03-27 US disclosed
US-20060058478-A1 Method for radical polymerisation in the presence of a chain transfer agent BASF AKTIENGESELLSCHAFT (DE) 2006-03-16 US disclosed