SCHEMBL6135578

SCHEMBL6135578

O=C([O-])c1ccc2cc(O)ccc2n1.O=C([O-])c1ccc2cc(O)ccc2n1.O=C([O-])c1ccc2cc(O)ccc2n1.[Al+3]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B14 Q9BPX1 2/20 0.52
ESR2 Q92731 4/20 0.47
ESR1 P03372 3/20 0.47
PFKFB3 Q16875 1/20 0.41
TTR P02766 1/20 0.39
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
MGAM O43451 1/20 0.38
CYP1A2 P05177 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
CLK1 P49759 1/20 0.35
DYRK1A Q13627 1/20 0.35
DYRK1B Q9Y463 1/20 0.35
CNR2 P34972 1/20 0.35
HDAC8 Q9BY41 1/20 0.35

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
Zinc Ion SCHEMBL6385036 0.96 HSD17B14 (0.52) HSD17B14ESR2ESR1PFKFB3TTR
SCHEMBL1133472 0.96 HSD17B14 (0.52) HSD17B14ESR2ESR1PFKFB3TTR
SCHEMBL6386288 0.96 HSD17B14 (0.52) HSD17B14ESR2ESR1PFKFB3TTR
SCHEMBL1133213 0.96 HSD17B14 (0.52) HSD17B14ESR2ESR1PFKFB3TTR
SCHEMBL8320267 0.96 HSD17B14 (0.52) HSD17B14ESR2ESR1PFKFB3TTR
SCHEMBL2211860 0.81 MGAM (0.58) HSD17B14ESR2ESR1PFKFB3TTR
SCHEMBL13843590 0.80 HSD17B14 (0.54) HSD17B14ESR2ESR1PFKFB3TTR
SCHEMBL16980259 0.77 HSD17B14 (0.51) HSD17B14ESR2ESR1PFKFB3TTR
SCHEMBL4163337 0.76 HSD17B14 (0.50) HSD17B14ESR2ESR1PFKFB3TTR
SCHEMBL3133343 0.76 HSD17B14 (0.50) HSD17B14ESR2ESR1PFKFB3TTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1515686-A2 THICKENED COSMETIC COMPOSITION Henkel Kommanditgesellschaft auf Aktien (DE) 2005-03-23 EP disclosed
EP-1455749-A2 NOVEL USE OF APPLE CORE EXTRACTS IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS Henkel Kommanditgesellschaft auf Aktien (DE) 2004-09-15 EP disclosed
WO-2004000248-A2 THICKENED COSMETIC COMPOSITION HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-12-31 WO disclosed
WO-2003053394-A2 USE OF APPLE CORE EXTRACTS IN COSMETIC OR PHARMACEUTICAL CO MPOSITIONS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-07-03 WO disclosed
EP-0963424-A1 PROCESS FOR THE PREPARATION OF FLUORESCENT COMPOSITIONS, FLUORESCENT COMPOSITIONS AND THEIR USE Ciba SC Holding AG (CH) 1999-12-15 EP disclosed
WO-1998033863-A1 PROCESS FOR THE PREPARATION OF FLUORESCENT COMPOSITIONS, FLUORESCENT COMPOSITIONS AND THEIR USE CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 1998-08-06 WO disclosed