SCHEMBL7793707

SCHEMBL7793707

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

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
FOLH1 Q04609 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 2/20 0.34
ALDH1A1 P00352 1/20 0.34
SLC1A1 P43005 1/20 0.34
PABPC1 P11940 1/20 0.33
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
PPARG P37231 1/20 0.31
GLA P06280 1/20 0.31
RECQL P46063 1/20 0.30
HPGD P15428 1/20 0.30
KMT2A Q03164 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
SCHEMBL7784253 0.86 TSHR (0.39) TSHRFOLH1L3MBTL1LMNAALDH1A1
SCHEMBL7784245 0.83 TSHR (0.39) TSHRFOLH1L3MBTL1LMNAALDH1A1
SCHEMBL7789659 0.78 FOLH1 (0.49) TSHRFOLH1LMNAALDH1A1
SCHEMBL7793709 0.72 L3MBTL1 (0.40) TSHRL3MBTL1LMNAALDH1A1SLC1A1
SCHEMBL7790033 0.72 FOLH1 (0.34) FOLH1GAAKMT2A
SCHEMBL7793680 0.72 LMNA (0.43) FOLH1LMNAALDH1A1GAA
SCHEMBL22813743 0.72 TSHR (0.61) TSHRL3MBTL1LMNAALDH1A1GLA
SCHEMBL16281094 0.70 TSHR (0.58) TSHRL3MBTL1LMNAALDH1A1GLA
SCHEMBL4010658 0.70 TSHR (0.58) TSHRL3MBTL1LMNAALDH1A1GLA
SCHEMBL8104827 0.70 TSHR (0.48) TSHRL3MBTL1LMNAALDH1A1SLC1A1

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
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