SCHEMBL7784240

SCHEMBL7784240

CCCC(=S)C(CCS)CCCCC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 5/20 0.45
FFAR4 Q5NUL3 2/20 0.45
FFAR1 O14842 2/20 0.45
ALDH1A1 P00352 3/20 0.44
GSTK1 Q9Y2Q3 2/20 0.43
AKR1B1 P15121 1/20 0.42
ENPEP Q07075 1/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 1/20 0.42
PPARG P37231 5/20 0.41
PPARD Q03181 5/20 0.41
PPARA Q07869 5/20 0.41
HDAC11 Q96DB2 4/20 0.41
TSHR P16473 3/20 0.41
GPR84 Q9NQS5 3/20 0.41
TLR2 O60603 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
FABP4 P15090 2/20 0.41
PTPN1 P18031 2/20 0.41
SLC22A6 Q4U2R8 1/20 0.41

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
SCHEMBL8103007 0.84 FFAR4 (0.45) FFAR4FFAR1ALDH1A1AKR1B1KMT2A
SCHEMBL7789665 0.84 FFAR4 (0.45) FFAR4FFAR1ALDH1A1AKR1B1KMT2A
SCHEMBL8104609 0.81 BLM (0.41) FOLH1TDP1
SCHEMBL8095384 0.79 FFAR4 (0.44) FFAR4FFAR1ALDH1A1AKR1B1KMT2A
Dihydrolipoic Acid SCHEMBL1115003 0.71 FOLH1 (0.56) FOLH1FFAR4FFAR1GSTK1ENPEP
SCHEMBL28862676 0.71 FOLH1 (0.76) FOLH1GSTK1ENPEP
Dihydrolipoic Acid SCHEMBL19773 0.71 FOLH1 (0.56) FOLH1FFAR4FFAR1GSTK1ENPEP
Dihydrolipoic Acid SCHEMBL867951 0.71 FOLH1 (0.56) FOLH1FFAR4FFAR1GSTK1ENPEP
Dihydrolipoic Acid SCHEMBL618576 0.71 FOLH1 (0.56) FOLH1FFAR4FFAR1GSTK1ENPEP
SCHEMBL7784221 0.70 FFAR4 (0.47) FFAR4FFAR1ALDH1A1GSTK1AKR1B1

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 6 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
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-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