SCHEMBL8467919

SCHEMBL8467919

CSc1ccc(C(=O)C2=C(Sc3ccccc3)C3CCC(C3)C2=O)c(Cl)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.35
HPGD P15428 3/20 0.35
ALDH1A1 P00352 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
HSD17B10 Q99714 2/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
MEN1 O00255 4/20 0.32
KMT2A Q03164 4/20 0.32
GAA P10253 2/20 0.31
KCNJ6 P48051 1/20 0.31
KCNJ3 P48549 1/20 0.31
MAPT P10636 3/20 0.31
NPC1 O15118 1/20 0.31
NFKB1 P19838 1/20 0.31
RAB9A P51151 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL117919 0.85 MEN1 (0.41) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL24193281 0.85 MEN1 (0.41) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL8943161 0.78 ALDH1A1 (0.52) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL8943536 0.77 PDE4B (0.41) ALDH1A1MEN1KMT2AGAAMAPT
3,6 Dichloromethoxybenzoic Acid SCHEMBL17927130 0.76 ALDH1A1 (0.38) ALDH1A1HSD17B10MEN1KMT2ANPSR1
SCHEMBL8997655 0.74 SLC6A9 (0.31) ALDH1A1
Mesotrione SCHEMBL17927166 0.73 HPD (0.40) SMN1; SMN2ALDH1A1MEN1KMT2ANPSR1
SCHEMBL8997610 0.71 SLC6A9 (0.32) ALDH1A1
SCHEMBL6374454 0.69 GAA (0.35) ALDH1A1GAAMAPTNPC1RAB9A
SCHEMBL6374460 0.69 GAA (0.35) ALDH1A1GAAMAPTNPC1RAB9A

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
JP-11349412-A None JP disclosed
JP-H11349412-A STABLE AQUEOUS SUSPENSIONLIKE AGROCHEMICAL FORMULATION SDS BIOTECH KK 1999-12-21 JP disclosed