SCHEMBL6572653

SCHEMBL6572653

CCCC(=S)CCCCCCCC(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.62
PPARG P37231 7/20 0.62
PPARD Q03181 7/20 0.62
PPARA Q07869 7/20 0.62
HDAC11 Q96DB2 5/20 0.62
TSHR P16473 5/20 0.62
PTPN1 P18031 3/20 0.62
ALDH1A1 P00352 2/20 0.62
TLR2 O60603 2/20 0.62
TDP1 Q9NUW8 2/20 0.62
FABP4 P15090 2/20 0.62
KMT2A Q03164 2/20 0.62
ALOX15 P16050 2/20 0.62
HSD17B10 Q99714 2/20 0.62
SLC22A6 Q4U2R8 1/20 0.62
SLC22A8 Q8TCC7 1/20 0.62
MEN1 O00255 1/20 0.62
ESR1 P03372 1/20 0.62
PDE4A P27815 1/20 0.62
PDE3A Q14432 1/20 0.62

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
SCHEMBL18640607 0.93 FFAR3 (0.55) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL9754253 0.88 TSHR (0.71) GPR84PPARGPPARDPPARAHDAC11
Sebacic Acid SCHEMBL28373760 0.83 GPR84 (0.79) GPR84PPARGPPARDPPARAHDAC11
Azelaic Acid SCHEMBL14893174 0.83 GPR84 (0.79) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL740114 0.81 AKR1B1 (0.56) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL24338481 0.80 CES2 (0.48) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL10714923 0.80 LMNA (0.61) GPR84PPARGPPARDPPARAHDAC11
Pimelic Acid SCHEMBL1483103 0.80 GPR84 (0.83) GPR84PPARGPPARDPPARAHDAC11
Sebacic Acid SCHEMBL2474666 0.80 GPR84 (0.83) GPR84PPARGPPARDPPARAHDAC11
Sebacic Acid SCHEMBL19066940 0.80 GPR84 (0.83) GPR84PPARGPPARDPPARAHDAC11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1296946-B1 AMINOTHIOLESTER COMPOUNDS, PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING SAME AND USES THEREOF GALDERMA RES & DEV (FR) 2004-04-21 EP claimed
EP-1296946-A1 AMINOTHIOLESTER COMPOUNDS, PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING SAME AND USES THEREOF Galderma Research & Development, S.N.C. (FR) 2003-04-02 EP claimed
WO-2001092220-A1 AMINOTHIOLESTER COMPOUNDS, PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING SAME AND USES THEREOF GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2001-12-06 WO claimed
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
EP-0947503-A1 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 Research & Development, S.N.C. (FR) 1999-10-06 EP claimed
EP-1296946-B1 AMINOTHIOLESTER COMPOUNDS, PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING SAME AND USES THEREOF GALDERMA RES & DEV (FR) 2004-04-21 EP disclosed
EP-1296946-A1 AMINOTHIOLESTER COMPOUNDS, PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING SAME AND USES THEREOF Galderma Research & Development, S.N.C. (FR) 2003-04-02 EP disclosed
WO-2001092220-A1 AMINOTHIOLESTER COMPOUNDS, PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING SAME AND USES THEREOF GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2001-12-06 WO disclosed
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 disclosed
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
EP-0947503-A1 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 Research & Development, S.N.C. (FR) 1999-10-06 EP disclosed