SCHEMBL2051675

SCHEMBL2051675

CC(C)(C)c1cccc(-c2[c]c3c(cc2)-c2ccc(-c4cccc(C(C)(C)C)c4)cc2C3)c1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.40
RXRA P19793 2/20 0.40
RXRB P28702 2/20 0.40
PARP10 Q53GL7 1/20 0.34
PARP11 Q9NR21 1/20 0.34
ASIC3 Q9UHC3 1/20 0.33
TMEM97 Q5BJF2 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
TDP2 O95551 7/20 0.31
PTAFR P25105 1/20 0.31

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
SCHEMBL2046327 0.85 TDP2 (0.36) KIF11TDP2
SCHEMBL1905238 0.83 KIF11 (0.56) KIF11RXRARXRBPARP10PARP11
SCHEMBL2047309 0.82 PARP10 (0.44) PARP10PARP11SIGMAR1TDP2
SCHEMBL2047276 0.79 BCL2 (0.40) TMEM97SIGMAR1TDP2
SCHEMBL717055 0.79 TDP2 (0.46) PARP10PARP11TDP2
SCHEMBL2049239 0.77 CTSS (0.33) TMEM97SIGMAR1TDP2
SCHEMBL2051196 0.75 HDAC4 (0.35) TDP2
SCHEMBL2052254 0.75 MPL (0.33)
SCHEMBL2051092 0.75 ESR1 (0.36) TDP2
SCHEMBL2051905 0.74 TRPA1 (0.39)

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