SCHEMBL7784239

SCHEMBL7784239

CSCCC(=O)C(C)CCC(S)CCCCC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.40
FFAR4 Q5NUL3 1/20 0.38
FFAR1 O14842 1/20 0.38
RNPEP Q9H4A4 1/20 0.38
LTA4H P09960 1/20 0.37
CYP1A2 P05177 1/20 0.37
GSTK1 Q9Y2Q3 2/20 0.37
ENPEP Q07075 1/20 0.36
TYR P14679 2/20 0.36
ALDH1A1 P00352 1/20 0.34
BHMT Q93088 1/20 0.33

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
SCHEMBL10452860 0.82 RNPEP (0.50) FOLH1FFAR4FFAR1RNPEPGSTK1
SCHEMBL7793694 0.82 ALDH1A1 (0.41) FOLH1FFAR4FFAR1ALDH1A1
SCHEMBL7784226 0.81 GSTK1 (0.44) FOLH1FFAR4FFAR1RNPEPGSTK1
SCHEMBL7789981 0.81 FOLH1 (0.50) FOLH1FFAR4FFAR1RNPEPGSTK1
SCHEMBL7784218 0.80 FOLH1 (0.42) FOLH1FFAR4FFAR1RNPEPGSTK1
SCHEMBL7789658 0.79 FOLH1 (0.43) FOLH1FFAR4FFAR1RNPEPALDH1A1
SCHEMBL7784233 0.77 FOLH1 (0.46) FOLH1FFAR4FFAR1RNPEPGSTK1
SCHEMBL7789991 0.74 FOLH1 (0.41) FOLH1FFAR4FFAR1RNPEPGSTK1
SCHEMBL15956044 0.73 TSHR (0.60) FOLH1FFAR4FFAR1GSTK1ENPEP
SCHEMBL7784238 0.73 FOLH1 (0.49) FOLH1FFAR4FFAR1RNPEPGSTK1

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
EP-0947503-B1 6,8-Dimethylmercaptooctanoic acid derivatives substituted on 6-S and/or 8-S by the 3-methylthiopropanoyl radical and pharmaceutical compositions for the treatment of cancerous tumours GALDERMA RES & DEV (FR) 2001-11-21 EP claimed