SCHEMBL9146997

SCHEMBL9146997

CCCCCCCCCCCC(C)(C)Nc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
EPHX1 P07099 3/20 0.42
ALDH1A1 P00352 2/20 0.42
HTT P42858 1/20 0.42
CACNA2D1 P54289 1/20 0.39
KCNH3 Q9ULD8 1/20 0.39
ICMT O60725 1/20 0.39
ALB P02768 1/20 0.39
SOAT2 O75908 1/20 0.39
SOAT1 P35610 1/20 0.39
HDAC8 Q9BY41 4/20 0.38
HDAC3 O15379 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
NAAA Q02083 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
EGFR P00533 1/20 0.36

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
SCHEMBL7174301 1.00 GAA (0.46) GAAEPHX1ALDH1A1HTTCACNA2D1
SCHEMBL1454049 1.00 GAA (0.46) GAAEPHX1ALDH1A1HTTCACNA2D1
SCHEMBL1454677 0.98 GAA (0.47) GAAEPHX1ALDH1A1HTTCACNA2D1
SCHEMBL11726260 0.91 MAPT (0.44) GAAALDH1A1HTTCACNA2D1KCNH3
SCHEMBL14840338 0.91 SOAT2 (0.52) GAASOAT2SOAT1
SCHEMBL21634339 0.86 MAPT (0.46) GAAALDH1A1HTTCACNA2D1KCNH3
SCHEMBL23633882 0.85 GAA (0.46) GAAEPHX1ALDH1A1HTTKCNH3
SCHEMBL1453847 0.84 GAA (0.43) GAAALDH1A1CACNA2D1NPSR1
SCHEMBL11329795 0.83 GAA (0.47) GAAEPHX1ALDH1A1HTTKCNH3
SCHEMBL19352986 0.82 NAAA (0.41) ALDH1A1HTTHDAC3NAAAHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5457272-A Method for capturing ecologically harmful substances from material polluted with such substances PELT & HOOYKAAS B.V. (NL) 1995-10-10 US disclosed
EP-0626346-A1 Method for capturing ecologically harmful substances from material polluted with such substances PELT & HOOYKAAS B.V. (NL) 1994-11-30 EP disclosed
EP-0398410-B1 PROCESS FOR IMMOBILIZING ENVIRONMENTALLY NOXIOUS METALS AND ORGANIC SUBSTANCES PELT & HOOYKAAS B.V. (NL) 1993-01-20 EP disclosed
US-5028338-A Process for immobilizing environmentally noxious metals and organic substances PELT & HOOYKAAS (NL) 1991-07-02 US disclosed
EP-0398410-A1 Process for immobilizing environmentally noxious metals and organic substances PELT & HOOYKAAS B.V. (NL) 1990-11-22 EP disclosed