SCHEMBL2045017

SCHEMBL2045017

CCCc1ccc(-c2[c]c3c(cc2)-c2ccc(-c4ccc(CCC)cc4)cc2C3)cc1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.36
MMP13 P45452 1/20 0.36
MCL1 Q07820 1/20 0.36
MPL P40238 4/20 0.34
NISCH Q9Y2I1 1/20 0.32
ALOX5 P09917 1/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
GFER P55789 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
CA2 P00918 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
SCHEMBL2048603 0.92 MPL (0.41) MMP12MMP13MPLNISCHCA2
SCHEMBL2051839 0.89 PTK2 (0.33) MMP12MMP13
SCHEMBL2049239 0.86 CTSS (0.33) MMP12MMP13
SCHEMBL2051092 0.81 ESR1 (0.36)
SCHEMBL717055 0.80 TDP2 (0.46) MMP12MMP13NPC1MAPTRAB9A
SCHEMBL2046466 0.79 NPSR1 (0.32)
SCHEMBL2052254 0.79 MPL (0.33) MPL
SCHEMBL2046327 0.78 TDP2 (0.36)
SCHEMBL2047276 0.77 BCL2 (0.40) NISCH
SCHEMBL2046636 0.75 PPARA (0.33) MMP12MMP13NPC1RAB9A

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