SCHEMBL9328643

SCHEMBL9328643

O=C(O)c1ccc(Cc2ccc(C(=O)O)c(O)c2O)c(O)c1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SELL P14151 1/20 0.58
SELP P16109 1/20 0.58
HMGB1 P09429 2/20 0.48
CXCL12 P48061 1/20 0.48
PTPN1 P18031 6/20 0.47
PTPN2 P17706 2/20 0.47
PTPN6 P29350 2/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 2/20 0.47
HSD17B10 Q99714 2/20 0.47
CYP1A2 P05177 1/20 0.44
LDHA P00338 1/20 0.44
ALB P02768 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MMP2 P08253 1/20 0.42
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KLKB1 P03952 1/20 0.41
CTSB P07858 1/20 0.41
MMP9 P14780 1/20 0.41

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
SCHEMBL5788024 0.84 SELL (0.56) SELLSELPHMGB1CXCL12ALDH1A1
SCHEMBL176255 0.83 SELL (0.79) SELLSELPHMGB1PTPN1ALDH1A1
SCHEMBL29860525 0.83 SELL (0.79) SELLSELPHMGB1PTPN1ALDH1A1
SCHEMBL8564778 0.81 GRM1 (0.50) SELLSELPHMGB1CXCL12PTPN1
SCHEMBL633197 0.80 HMGB1 (0.67) SELLSELPHMGB1CXCL12PTPN1
SCHEMBL29697016 0.80 HMGB1 (0.67) SELLSELPHMGB1CXCL12PTPN1
SCHEMBL11043522 0.80 SELL (0.75) SELLSELPHMGB1PTPN1ALDH1A1
SCHEMBL29112577 0.80 SELL (0.75) SELLSELPHMGB1PTPN1ALDH1A1
SCHEMBL29072927 0.80 SELL (0.75) SELLSELPHMGB1PTPN1ALDH1A1
SCHEMBL29030098 0.80 SELL (0.75) SELLSELPHMGB1PTPN1ALDH1A1

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-5302458-A Inorganic substrates coated with mixture of azidosilane and aminoalkoxysilane BASF LACKE+FARBEN AKTIENGESELLSCHAFT (DE) 1994-04-12 US disclosed
US-5286527-A Azidosilanes BASF LACKE+FARBEN AKTIENGESELLSCHAFT (DE) 1994-02-15 US disclosed