SCHEMBL7793674

SCHEMBL7793674

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.40
TSHR P16473 4/20 0.40
PPARG P37231 2/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
BIRC2 Q13490 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
SLC1A1 P43005 1/20 0.35
PPARA Q07869 1/20 0.34
EPHX2 P34913 1/20 0.34
PABPC1 P11940 1/20 0.33
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
POLB P06746 1/20 0.33
POLA1 P09884 1/20 0.33
CA12 O43570 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CYP3A4 P08684 1/20 0.33
ATM Q13315 1/20 0.33

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
SCHEMBL7784246 0.88 L3MBTL1 (0.40) L3MBTL1TSHRPPARGCA1CA2
SCHEMBL7793709 0.88 L3MBTL1 (0.40) L3MBTL1TSHRPPARGCA1CA2
SCHEMBL7784250 0.86 LMNA (0.51) TSHRALDH1A1LMNACYP3A4
SCHEMBL7792778 0.86 CTSK (0.32) TSHRLMNAEPHX2CYP3A4ATM
SCHEMBL7784255 0.85 L3MBTL1 (0.40) L3MBTL1TSHRPPARGCA1CA2
SCHEMBL7794222 0.85 DGKA (0.45) L3MBTL1TSHRALDH1A1LMNACYP3A4
SCHEMBL7789665 0.83 FFAR4 (0.45) TSHRPPARGALDH1A1PPARATDP1
SCHEMBL7794217 0.82 TSHR (0.42) L3MBTL1TSHRPPARGALDH1A1LMNA
SCHEMBL8102874 0.81 DNM1 (0.56) L3MBTL1TSHRCA1CA2ALDH1A1
SCHEMBL8416313 0.72 TSHR (0.54) TSHRCA2ALDH1A1LMNAEPHX2

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