SCHEMBL163253

SCHEMBL163253

NC(=O)CCSSCCC(=O)O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.72
LMNA P02545 6/20 0.52
KMT2A Q03164 3/20 0.52
HSD17B10 Q99714 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
CYP1A2 P05177 2/20 0.52
ALKBH5 Q6P6C2 1/20 0.42
SUCNR1 Q9BXA5 1/20 0.42
EGLN1 Q9GZT9 1/20 0.42
FOLH1 Q04609 1/20 0.40
BHMT Q93088 1/20 0.39
SLC22A6 Q4U2R8 1/20 0.38
BLM P54132 2/20 0.38
GABRR1 P24046 2/20 0.38
GABRR3 A8MPY1 1/20 0.38
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
HDAC3 O15379 1/20 0.38
GABBR2 O75899 1/20 0.38
THRB P10828 1/20 0.38

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
SCHEMBL97780 0.91 TSHR (0.56) TSHRLMNAKMT2AHSD17B10TDP1
Hydrochloric Acid SCHEMBL180144 0.88 TSHR (0.53) TSHRLMNAKMT2AHSD17B10TDP1
Hydrochloric Acid SCHEMBL1844352 0.88 TSHR (0.53) TSHRLMNAKMT2AHSD17B10TDP1
SCHEMBL1106829 0.86 LMNA (0.74) TSHRLMNAKMT2AHSD17B10TDP1
SCHEMBL95982 0.85 TSHR (1.00) TSHRLMNAKMT2AHSD17B10TDP1
SCHEMBL5067235 0.83 TSHR (0.48) TSHRLMNAKMT2AHSD17B10TDP1
Selenium SCHEMBL30845448 0.82 TSHR (0.93) TSHRLMNAKMT2AHSD17B10TDP1
SCHEMBL30845449 0.82 TSHR (0.93) TSHRLMNAKMT2AHSD17B10TDP1
Water SCHEMBL11221867 0.82 TSHR (0.93) TSHRLMNAKMT2AHSD17B10TDP1
Ammonia Solution, Strong SCHEMBL8958644 0.82 TSHR (0.93) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7994280-B2 disulfide bond formation in solid phase peptide synthesis; starting with a cysteine that is protected in its side chain by a S-tert-butyl-sulphenyl group and which is N-terminally substituted at its N.alpha. and 3,3'-dithio-propionimide; coupling, cyclization; Eptifibatide on Sieber resin LONZA AG (CH) 2011-08-09 US claimed
EP-1805203-B1 ON-RESIN PEPTIDE CYCLIZATION LONZA AG (CH) 2010-01-13 EP claimed
US-20150247141-A1 MULTIMERIC OLIGONUCLEOTIDE COMPOUNDS RANA THERAPEUTICS, INC. (US) 2015-09-03 US disclosed
US-20150247141-A1 MULTIMERIC OLIGONUCLEOTIDE COMPOUNDS RANA THERAPEUTICS, INC. (US) 2015-09-03 US disclosed
US-8637277-B2 Method for producing 3-mercaptopropionic acid or salt thereof MITSUI CHEMICALS, INC. (JP) 2014-01-28 US disclosed
US-8637277-B2 Method for producing 3-mercaptopropionic acid or salt thereof MITSUI CHEMICALS, INC. (JP) 2014-01-28 US disclosed
EP-2426210-A1 PROCESS FOR PRODUCTION OF 3-MERCAPTOPROPIONIC ACID OR SALT THEREOF Mitsui Chemicals, Inc. (JP) 2012-03-07 EP disclosed
US-20120040418-A1 METHOD FOR PRODUCING 3-MERCAPTOPROPIONIC ACID OR SALT THEREOF MITSUI CHEMICALS INC. (JP) 2012-02-16 US disclosed
US-7994280-B2 disulfide bond formation in solid phase peptide synthesis; starting with a cysteine that is protected in its side chain by a S-tert-butyl-sulphenyl group and which is N-terminally substituted at its N.alpha. and 3,3'-dithio-propionimide; coupling, cyclization; Eptifibatide on Sieber resin LONZA AG (CH) 2011-08-09 US disclosed
EP-1805203-B1 ON-RESIN PEPTIDE CYCLIZATION LONZA AG (CH) 2010-01-13 EP disclosed