SCHEMBL4459716

SCHEMBL4459716

CCCCCCCCCCCCCCCCCCN(CCC#N)CCC#N

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.54
TSHR P16473 2/20 0.50
DNM1 Q05193 3/20 0.42
ZDHHC20 Q5W0Z9 2/20 0.40
ZDHHC2 Q9UIJ5 1/20 0.40
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
DRD3 P35462 1/20 0.37
THRB P10828 1/20 0.36
KDM5A P29375 2/20 0.36
PHF8 Q9UPP1 2/20 0.36
KDM4C Q9H3R0 1/20 0.36
KCNH2 Q12809 3/20 0.36

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
SCHEMBL3145967 1.00 LCK (0.54) LCKTSHRDNM1ZDHHC20ZDHHC2
SCHEMBL18875927 1.00 LCK (0.54) LCKTSHRDNM1ZDHHC20ZDHHC2
SCHEMBL6153439 1.00 LCK (0.54) LCKTSHRDNM1ZDHHC20ZDHHC2
SCHEMBL11586970 1.00 LCK (0.54) LCKTSHRDNM1ZDHHC20ZDHHC2
SCHEMBL4457197 1.00 LCK (0.54) LCKTSHRDNM1ZDHHC20ZDHHC2
SCHEMBL11137053 1.00 LCK (0.54) LCKTSHRDNM1ZDHHC20ZDHHC2
SCHEMBL31616928 1.00 LCK (0.54) LCKTSHRDNM1ZDHHC20ZDHHC2
SCHEMBL7868214 0.98 LCK (0.52) LCKTSHRDNM1ZDHHC20ZDHHC2
Hydrochloric Acid SCHEMBL5078740 0.98 LCK (0.52) LCKTSHRDNM1ZDHHC20ZDHHC2
SCHEMBL18214617 0.98 LCK (0.57) LCKTSHRDNM1ZDHHC20ZDHHC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8830811-B2 Resin composition and optical component MITSUI CHEMICALS, INC. (JP) 2014-09-09 US disclosed
EP-1878769-B1 RESIN COMPOSITION AND OPTICAL COMPONENT MITSUI CHEMICALS INC (JP) 2013-04-17 EP disclosed
US-20090310471-A1 Resin composition and optical component MITSUI CHEMICALS, INC. (JP) 2009-12-17 US disclosed
EP-1878769-A1 RESIN COMPOSITION AND OPTICAL COMPONENT Mitsui Chemicals, Inc. (JP) 2008-01-16 EP disclosed