SCHEMBL7793680

SCHEMBL7793680

CSCCC(=O)C(CCS)CCCCC(=O)OC(C)C

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
FOLH1 Q04609 1/20 0.34
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
EPHX2 P34913 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
SCHEMBL7784253 0.86 TSHR (0.39) LMNAFOLH1ALDH1A1
SCHEMBL7790033 0.84 FOLH1 (0.34) FOLH1GAAEPHX2
SCHEMBL7790026 0.84 CYP1A2 (0.38) FOLH1ALDH1A1GAA
SCHEMBL7784238 0.81 FOLH1 (0.49) FOLH1ALDH1A1
SCHEMBL7793672 0.81 DGKA (0.42) LMNAALDH1A1
SCHEMBL7793669 0.76 FOLH1 (0.49) LMNAFOLH1ALDH1A1
SCHEMBL7793684 0.74 LMNA (0.51) LMNAALDH1A1GAA
SCHEMBL7793701 0.74 LMNA (0.44) LMNAALDH1A1GAAEPHX2
SCHEMBL23348428 0.74 LMNA (0.57) LMNAFOLH1ALDH1A1GAAEPHX2
SCHEMBL8104635 0.73 LMNA (0.53) LMNAALDH1A1GAAEPHX2

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