SCHEMBL6732004

SCHEMBL6732004

Cc1cccc(Cc2cc(-c3cc(Cc4cccc(C)c4O)c(O)c(Cc4cccc(C)c4O)c3)cc(Cc3cccc(C)c3O)c2O)c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
GABRA1 P14867 3/20 0.43
GABRB2 P47870 3/20 0.43
TRPA1 O75762 1/20 0.43
HSP90AA1 P07900 1/20 0.43
AMY1A P0DUB6 1/20 0.43
PTPN1 P18031 2/20 0.42
PTPN2 P17706 1/20 0.42
PTPN6 P29350 1/20 0.42
CNR2 P34972 1/20 0.40
GPR55 Q9Y2T6 1/20 0.40
CALM1 P0DP23 1/20 0.39
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
HIF1A Q16665 2/20 0.38
GPR84 Q9NQS5 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CA12 O43570 1/20 0.38

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
SCHEMBL17666370 0.90 ALDH1A1 (0.59) ALDH1A1GABRA1GABRB2TRPA1HSP90AA1
SCHEMBL20154792 0.89 AMY1A (0.56) ALDH1A1GABRA1GABRB2TRPA1HSP90AA1
SCHEMBL30374717 0.89 AMY1A (0.56) ALDH1A1GABRA1GABRB2TRPA1HSP90AA1
SCHEMBL9341585 0.89 AMY1A (0.56) ALDH1A1GABRA1GABRB2TRPA1HSP90AA1
SCHEMBL68936 0.88 ALDH1A1 (0.62) ALDH1A1GABRA1GABRB2TRPA1HSP90AA1
SCHEMBL28675364 0.83 AMY1A (0.50) ALDH1A1GABRA1GABRB2TRPA1HSP90AA1
SCHEMBL12856364 0.82 GABRA1 (0.68) ALDH1A1GABRA1GABRB2TRPA1CNR2
SCHEMBL13839296 0.82 GABRA1 (0.68) ALDH1A1GABRA1GABRB2TRPA1CNR2
SCHEMBL18462974 0.82 ALDH1A1 (0.50) ALDH1A1GABRA1GABRB2TRPA1HSP90AA1
SCHEMBL11126429 0.82 ALDH1A1 (0.54) ALDH1A1GABRA1GABRB2TRPA1CNR2

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-20040247900-A1 Antireflective film material, and antireflective film and pattern formation method using the same SHIN-ETSU CHEMICAL CO. LTD. (JP) 2004-12-09 US disclosed