SCHEMBL8440895

SCHEMBL8440895

CC(C(=O)O)C(SCCC(=O)O)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
LMNA P02545 2/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP1A2 P05177 2/20 0.41
BHMT Q93088 1/20 0.37
GABRP O00591 2/20 0.37
GABRD O14764 2/20 0.37
GABRA1 P14867 2/20 0.37
GABRB1 P18505 2/20 0.37
GABRG2 P18507 2/20 0.37
GABRB3 P28472 2/20 0.37
GABRA5 P31644 2/20 0.37
GABRA3 P34903 2/20 0.37
GABRA2 P47869 2/20 0.37
GABRB2 P47870 2/20 0.37
GABRA4 P48169 2/20 0.37
GABRE P78334 2/20 0.37
GABRA6 Q16445 2/20 0.37

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
SCHEMBL2762997 0.77 TSHR (0.48) TSHRLMNAKMT2AHSD17B10TDP1
SCHEMBL5593556 0.77 TSHR (0.52) TSHRLMNAKMT2AHSD17B10TDP1
SCHEMBL7276318 0.77
SCHEMBL9863423 0.73 CPA3 (0.47) CYP1A2CYSLTR2CYSLTR1
SCHEMBL24982653 0.72 TSHR (0.42) TSHRLMNAKMT2AHSD17B10TDP1
SCHEMBL28361062 0.71 TSHR (0.46) TSHRLMNAKMT2AHSD17B10TDP1
SCHEMBL7798008 0.71 CPB1 (0.56) TSHRLMNAKMT2AHSD17B10TDP1
SCHEMBL10154407 0.69 TP53 (0.38)
SCHEMBL28364927 0.68 BHMT (0.48) TSHRLMNAKMT2AHSD17B10TDP1
Propylene Glycol SCHEMBL28366746 0.68 TSHR (0.62) TSHRLMNAKMT2AHSD17B10TDP1

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-5922910-A Synthesis of carboxyalkylthiosuccinic acids ELF ATOCHEM S.A. (FR) 1999-07-13 US disclosed