SCHEMBL5404855

SCHEMBL5404855

C1=C[C](c2ccc3ccccc3c2)CCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 1/20 0.40
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
ALOX5 P09917 1/20 0.39
HSD17B1 P14061 1/20 0.38
HSD17B2 P37059 1/20 0.38
SLC6A2 P23975 3/20 0.37
SLC6A3 Q01959 2/20 0.37
NISCH Q9Y2I1 1/20 0.37
CYP1A2 P05177 3/20 0.36
CYP11B1 P15538 3/20 0.36
CYP11B2 P19099 3/20 0.36
CYP17A1 P05093 1/20 0.36
CYP19A1 P11511 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
ALDH1A1 P00352 2/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL5408869 0.89 GSTP1 (0.42) GSTP1ESR1ESR2ALOX5HSD17B1
SCHEMBL1524742 0.77 ALDH1A1 (0.39) ALDH1A1
SCHEMBL28154821 0.69 ALDH1A1 (0.40) ALDH1A1NPC1MAPTRAB9A
SCHEMBL5400224 0.69 GSTP1 (0.48) GSTP1ESR1ESR2ALOX5HSD17B1
SCHEMBL22634176 0.69 SLC6A2 (0.58) GSTP1ESR1ESR2ALOX5HSD17B1
SCHEMBL1008917 0.69 GSTP1 (0.48) GSTP1ESR1ESR2ALOX5HSD17B1
SCHEMBL5013872 0.68 ESR1 (0.71) GSTP1ESR1ESR2ALOX5HSD17B1
SCHEMBL30603836 0.68 ESR1 (0.71) GSTP1ESR1ESR2ALOX5HSD17B1
SCHEMBL239121 0.68 ESR1 (0.71) GSTP1ESR1ESR2ALOX5HSD17B1
SCHEMBL30239993 0.68 ESR1 (0.71) GSTP1ESR1ESR2ALOX5HSD17B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7192684-B2 Polymerizable silicon-containing compound, manufacturing method, polymer, resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2007-03-20 US disclosed
US-20040067436-A1 Polymerizable silicon-containing compound, manufacturing method, polymer, resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2004-04-08 US disclosed