SCHEMBL2049239

SCHEMBL2049239

CCCc1cccc(-c2[c]c3c(cc2)-c2ccc(-c4cccc(CCC)c4)cc2C3)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
BACE1 P56817 1/20 0.32
TDP2 O95551 2/20 0.30
BCL2 P10415 1/20 0.30
HTR7 P34969 1/20 0.30
MMP12 P39900 1/20 0.30
MMP13 P45452 1/20 0.30
HTR1A P08908 1/20 0.30
ADRA2A P08913 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30
DRD4 P21917 1/20 0.30
SLC6A2 P23975 1/20 0.30
HTR2C P28335 1/20 0.30
SLC6A4 P31645 1/20 0.30
OPRK1 P41145 1/20 0.30
HTR2B P41595 1/20 0.30
HTR5A P47898 1/20 0.30
SLC6A3 Q01959 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
SCHEMBL2052254 0.93 MPL (0.33) SLC6A2HTR2CSLC6A4
SCHEMBL2047276 0.90 BCL2 (0.40) BACE1TDP2BCL2HTR1AADRA2A
SCHEMBL2045017 0.86 MMP12 (0.36) MMP12MMP13
SCHEMBL2047309 0.80 PARP10 (0.44) TDP2SIGMAR1
SCHEMBL2048603 0.79 MPL (0.41) MMP12MMP13
SCHEMBL2051196 0.78 HDAC4 (0.35) TDP2
SCHEMBL2051839 0.78 PTK2 (0.33) TDP2MMP12MMP13
SCHEMBL2051675 0.77 KIF11 (0.40) TDP2TMEM97SIGMAR1
SCHEMBL717055 0.77 TDP2 (0.46) TDP2MMP12MMP13
SCHEMBL1902719 0.76 DRD2 (0.40) MMP12MMP13SLC6A2HTR2CSLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110152463-A1 RESIN COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-06-23 US disclosed