SCHEMBL7789991

SCHEMBL7789991

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

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 3/20 0.41
TYR P14679 2/20 0.37
RNPEP Q9H4A4 1/20 0.36
GSTK1 Q9Y2Q3 2/20 0.35
ENPEP Q07075 1/20 0.34
FFAR4 Q5NUL3 1/20 0.33
FFAR1 O14842 1/20 0.33
ALDH1A1 P00352 1/20 0.33
BHMT Q93088 2/20 0.31
LMNA P02545 1/20 0.31
ACACB O00763 1/20 0.30
ACACA Q13085 1/20 0.30
TSHR P16473 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 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
SCHEMBL7794206 0.81 FOLH1 (0.39) FOLH1TYRRNPEPGSTK1ENPEP
SCHEMBL10452860 0.80 RNPEP (0.50) FOLH1TYRRNPEPGSTK1ENPEP
SCHEMBL7784226 0.79 GSTK1 (0.44) FOLH1TYRRNPEPGSTK1ENPEP
SCHEMBL7789981 0.79 FOLH1 (0.50) FOLH1RNPEPGSTK1ENPEPFFAR4
SCHEMBL7784218 0.78 FOLH1 (0.42) FOLH1TYRRNPEPGSTK1ENPEP
SCHEMBL7784239 0.74 FOLH1 (0.40) FOLH1TYRRNPEPGSTK1ENPEP
SCHEMBL7789658 0.71 FOLH1 (0.43) FOLH1RNPEPFFAR4FFAR1ALDH1A1
SCHEMBL7793694 0.71 ALDH1A1 (0.41) FOLH1FFAR4FFAR1ALDH1A1TSHR
SCHEMBL15956044 0.71 TSHR (0.60) FOLH1GSTK1ENPEPFFAR4FFAR1
SCHEMBL7789656 0.70 FOLH1 (0.45) FOLH1RNPEPGSTK1ENPEPFFAR4

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