SCHEMBL8104568

SCHEMBL8104568

COC(=O)CCCCC(CCS)C(C)=O

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.47
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HSD17B10 Q99714 1/20 0.38
PABPC1 P11940 1/20 0.37
APOBEC3A P31941 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
BIRC2 Q13490 1/20 0.36
FOLH1 Q04609 3/20 0.36
SLC1A1 P43005 1/20 0.36
RECQL P46063 1/20 0.35
PPARG P37231 1/20 0.35
KISS1R Q969F8 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL7784253 0.82 TSHR (0.39) TSHRL3MBTL1LMNAALDH1A1HSD17B10
SCHEMBL10900049 0.81 L3MBTL1 (0.50) TSHRL3MBTL1LMNAALDH1A1PABPC1
SCHEMBL7784255 0.80 L3MBTL1 (0.40) TSHRL3MBTL1LMNAALDH1A1PABPC1
SCHEMBL7778506 0.79 TSHR (0.50) TSHRL3MBTL1LMNAALDH1A1HSD17B10
SCHEMBL11616026 0.76 L3MBTL1 (0.54) L3MBTL1LMNAPABPC1APOBEC3AAPOBEC3G
SCHEMBL7784246 0.76 L3MBTL1 (0.40) TSHRL3MBTL1LMNAALDH1A1PABPC1
SCHEMBL11587569 0.76 BIRC2 (0.49) TSHRL3MBTL1LMNAHSD17B10BIRC2
SCHEMBL6138555 0.76 TSHR (0.56) TSHRL3MBTL1LMNAALDH1A1FOLH1
SCHEMBL2855754 0.75
SCHEMBL20767532 0.74 TSHR (0.54) TSHRL3MBTL1LMNAALDH1A1PABPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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