SCHEMBL2051906

SCHEMBL2051906

CC(C)(C)c1ccccc1-c1ccc2c(c1)[CH]c1cc(-c3ccccc3C(C)(C)C)ccc1-2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 4/20 0.49
ALDH1A1 P00352 3/20 0.36
TSHR P16473 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
AR P10275 2/20 0.36
PTPN5 P54829 1/20 0.35
NPC1 O15118 1/20 0.34
PLA2G1B P04054 1/20 0.34
NFKB1 P19838 1/20 0.34
CASP3 P42574 1/20 0.34
RAB9A P51151 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ATG4B Q9Y4P1 1/20 0.34
CA2 P00918 1/20 0.33
PTPN1 P18031 2/20 0.33

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
SCHEMBL1904302 0.76 TRPA1 (0.48) TRPA1ALDH1A1TSHRTDP1AR
SCHEMBL2050791 0.75 CA12 (0.47) TRPA1ALDH1A1TSHRARCA2
SCHEMBL28625579 0.75 ALDH1A1 (0.35) TRPA1ALDH1A1TSHRTDP1NPC1
SCHEMBL9254072 0.74 TRPA1 (0.49) TRPA1ALDH1A1TSHRTDP1NPC1
SCHEMBL668814 0.74 TRPA1 (0.47) TRPA1ALDH1A1TSHRTDP1NPC1
SCHEMBL2267090 0.74 TRPA1 (0.47) TRPA1ALDH1A1TSHRTDP1NPC1
SCHEMBL291792 0.73 ALDH1A1 (0.46) TRPA1ALDH1A1TSHRTDP1PTPN5
SCHEMBL29833702 0.73 ALDH1A1 (0.46) TRPA1ALDH1A1TSHRTDP1PTPN5
SCHEMBL11020611 0.73 ALDH1A1 (0.50) TRPA1ALDH1A1TSHRTDP1PTPN5
SCHEMBL11667207 0.72 TRPA1 (0.46) TRPA1ALDH1A1TSHRTDP1NPC1

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