SCHEMBL5846455

SCHEMBL5846455

O=C(O)CCC1=CC=CCC1=S

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.36
KEAP1 Q14145 1/20 0.34
ALDH1A1 P00352 1/20 0.33
FFAR1 O14842 3/20 0.32
HDAC6 Q9UBN7 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL6579080 0.90 SMN1; SMN2 (0.38) ALDH1A1FFAR1HDAC6HSD17B10
SCHEMBL5846069 0.84 TSHR (0.30)
SCHEMBL4135805 0.81 THRB (0.32)
SCHEMBL10904738 0.80 NPSR1 (0.37) NPSR1KEAP1ALDH1A1FFAR1HDAC6
SCHEMBL1888312 0.77
SCHEMBL7353472 0.76
SCHEMBL1981931 0.74 ALDH1A1 (0.42) ALDH1A1L3MBTL1
SCHEMBL9015336 0.74
SCHEMBL2648994 0.74
SCHEMBL8684759 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7012138-B1 Chiral polysaccharide esters, one of the methods for preparing them and their uses for obtaining optically enriched acids or for chiral chromatography UNIVERSITE DE DROIT D'ECONOMIE ET DES SCIENCES D'AIZ-MARSEILLE (FR) 2006-03-14 US disclosed