SCHEMBL9015803

SCHEMBL9015803

CC(C)(C)OOC(=O)CCSCCC(=O)OOC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 2/20 0.34
TSHR P16473 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HPGD P15428 1/20 0.32

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
SCHEMBL9015745 0.85 LMNA (0.30) HSD17B10TDP1LMNAKMT2A
SCHEMBL11126370 0.84 TSHR (0.41) HSD17B10TDP1LMNAALDH1A1TSHR
SCHEMBL3497531 0.81 TSHR (0.39) HSD17B10TDP1ALDH1A1TSHRHDAC3
SCHEMBL9015706 0.80 LMNA (0.32) HSD17B10TDP1LMNAKMT2A
SCHEMBL1326440 0.79 TSHR (0.40) HSD17B10TDP1LMNAALDH1A1TSHR
SCHEMBL11413523 0.79 TSHR (0.46) HSD17B10TDP1LMNAALDH1A1TSHR
SCHEMBL5014070 0.77 HDAC1 (0.43) HSD17B10TDP1LMNAKMT2AALDH1A1
SCHEMBL11420930 0.77 DGKA (0.40) HSD17B10TDP1LMNAALDH1A1TSHR
SCHEMBL515690 0.77 ALDH1A1 (0.50) HSD17B10TDP1LMNAALDH1A1TSHR
SCHEMBL11605978 0.77 TSHR (0.36) HSD17B10TDP1ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5516856-A IMPROVED PROCESS FOR THE MODIFICATION OF THE MOLECULAR CHAIN OF A POLYMER ELF ATOCHEM NORTH AMERICA, INC. (US) 1996-05-14 US disclosed
US-5051531-A As polymerization catalysts and for crosslinking ATOCHEM NORTH AMERICA, INC. (US) 1991-09-24 US disclosed