SCHEMBL7794216

SCHEMBL7794216

COC(=O)CCCCC(S)CCC(=O)CCSC

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 3/20 0.35
ALDH1A1 P00352 1/20 0.35
RNPEP Q9H4A4 1/20 0.34
KMT2A Q03164 1/20 0.33
PABPC1 P11940 1/20 0.33
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
TYR P14679 1/20 0.33
PPARG P37231 1/20 0.32
GLA P06280 1/20 0.31
KDM4E B2RXH2 1/20 0.31
RECQL P46063 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
FOLH1 Q04609 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
SCHEMBL7789649 0.86 CYP1A2 (0.39) TSHRL3MBTL1ALDH1A1RNPEPKMT2A
SCHEMBL7793701 0.86 LMNA (0.44) LMNAALDH1A1RNPEP
SCHEMBL7794209 0.85 HDAC3 (0.33) RNPEPFOLH1
SCHEMBL7784218 0.83 FOLH1 (0.42) TSHRLMNAALDH1A1RNPEPKMT2A
SCHEMBL7784245 0.81 TSHR (0.39) TSHRL3MBTL1LMNAALDH1A1KMT2A
SCHEMBL29129028 0.81 TSHR (0.56) TSHRL3MBTL1LMNAALDH1A1KMT2A
SCHEMBL15954875 0.81 TSHR (0.56) TSHRL3MBTL1LMNAALDH1A1KMT2A
SCHEMBL7784226 0.78 GSTK1 (0.44) TSHRLMNAALDH1A1RNPEPKMT2A
SCHEMBL8104827 0.78 TSHR (0.48) TSHRL3MBTL1LMNAALDH1A1KMT2A
SCHEMBL7778506 0.76 TSHR (0.50) TSHRL3MBTL1LMNAALDH1A1KMT2A

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 4 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
JP-2000001471-A 6,8-DIMERCAPTO-OCTANOIC ACID DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME GALDERMA RES & DEV SNC 2000-01-07 JP disclosed