SCHEMBL6448244

SCHEMBL6448244

N#Cc1ccc(-c2nc3cc(OCC4CO4)ccc3o2)cc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.52
CETP P11597 16/20 0.47
HSPD1 P10809 1/20 0.47
PTPN2 P17706 1/20 0.47
PTPN1 P18031 1/20 0.47
PTPN5 P54829 1/20 0.47
HSPE1 P61604 1/20 0.47
CEPT1 Q9Y6K0 1/20 0.45
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PDE10A Q9Y233 1/20 0.44

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
SCHEMBL6284582 0.86 CETP (0.51) CETPTSHRHSD17B10
SCHEMBL5227432 0.86 ACSL1 (0.53) HDAC6PTPN2PTPN1PTPN5CEPT1
SCHEMBL5995331 0.86 ACSL1 (0.53) HDAC6PTPN2PTPN1PTPN5CEPT1
SCHEMBL17929619 0.83 MAPT (0.47) HDAC6CETPPTPN2PTPN1PTPN5
SCHEMBL17929618 0.83 MAPT (0.47) HDAC6CETPPTPN2PTPN1PTPN5
SCHEMBL17929620 0.83 RXFP1 (0.55) HDAC6TSHRHSD17B10
SCHEMBL17929621 0.83 RXFP1 (0.55) HDAC6TSHRHSD17B10
SCHEMBL5230999 0.83 UTRN (0.52) HDAC6CETPHSPD1PTPN2PTPN1
SCHEMBL13254499 0.81 TLR7 (0.51)
SCHEMBL13254511 0.80 TSHR (0.52) CETPTSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050244718-A1 Polymerizable, luminescent compounds and mixtures, luminescent polymer materials and their use MERCK PATENT GMBH (DE) 2005-11-03 US disclosed
EP-1517974-A1 POLYMERIZABLE, LUMINESCENT COMPOUNDS AND MIXTURES, LUMINESCENT POLYMER MATERIALS AND THEIR USE MERCK PATENT GmbH (DE) 2005-03-30 EP disclosed
WO-2004003103-A1 POLYMERIZABLE, LUMINESCENT COMPOUNDS AND MIXTURES, LUMINESCENT POLYMER MATERIALS AND THEIR USE MERCK PATENT GMBH (DE) 2004-01-08 WO disclosed