SCHEMBL7793701

SCHEMBL7793701

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

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
PGR P06401 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADRA2C P18825 1/20 0.33
SLC6A2 P23975 1/20 0.33
HTR2B P41595 1/20 0.33
MC3R P41968 1/20 0.33
SLC6A3 Q01959 1/20 0.33
PDE4D Q08499 1/20 0.33
SCN5A Q14524 1/20 0.33
RNPEP Q9H4A4 1/20 0.33
EPHX2 P34913 1/20 0.32

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
SCHEMBL7794216 0.86 TSHR (0.40) LMNAALDH1A1RNPEP
SCHEMBL7789649 0.83 CYP1A2 (0.39) ALDH1A1GAAPGRADORA3PDE4D
SCHEMBL7794209 0.82 HDAC3 (0.33) RNPEPEPHX2
SCHEMBL7784218 0.81 FOLH1 (0.42) LMNAALDH1A1RNPEP
SCHEMBL7792766 0.80 DGKA (0.43) LMNAALDH1A1
SCHEMBL5829763 0.77 LMNA (0.73) LMNAALDH1A1PGRADORA3ADRA2C
SCHEMBL8104635 0.77 LMNA (0.53) LMNAALDH1A1GAAPGRADORA3
SCHEMBL7784226 0.76 GSTK1 (0.44) LMNAALDH1A1RNPEP
SCHEMBL23348428 0.75 LMNA (0.57) LMNAALDH1A1GAARNPEPEPHX2
SCHEMBL7793705 0.74 LMNA (0.54) LMNAALDH1A1GAAPGRADORA3

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 3 patents. 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
US-6117902-A 6,8-dimercaptooctanoic acid derivatives substituted at the 6-S and/or 8-S position with the (3-methylthiopropanoyl) radical and pharmaceutical compositions intended for the treatment of cancerous tumors GALDERMAN RESEARCH & DEVELOPMENT, S.N.C. SOPHIA ABTIPOLIS (FR) 2000-09-12 US claimed
US-6117902-A 6,8-dimercaptooctanoic acid derivatives substituted at the 6-S and/or 8-S position with the (3-methylthiopropanoyl) radical and pharmaceutical compositions intended for the treatment of cancerous tumors GALDERMAN RESEARCH & DEVELOPMENT, S.N.C. SOPHIA ABTIPOLIS (FR) 2000-09-12 US disclosed