SCHEMBL8712420

SCHEMBL8712420

O=C(O)C(CSSCC(C(=O)O)C(=O)O)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
TSHR P16473 3/20 0.35
ALDH1A1 P00352 2/20 0.33
OR51E2 Q9H255 1/20 0.33
LMNA P02545 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
THRB P10828 1/20 0.33
RECQL P46063 1/20 0.33
ITGB1 P05556 1/20 0.32
ITGA4 P13612 1/20 0.32
TET2 Q6N021 3/20 0.32
ENPEP Q07075 1/20 0.32
TET3 O43151 1/20 0.32
TET1 Q8NFU7 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
SCHEMBL4949678 0.76 RNPEP (0.44) TDP1
SCHEMBL18112573 0.73 OR51E2 (0.50) CYP2D6CYP2C19TSHROR51E2TET2
SCHEMBL4561556 0.73 TP53 (0.35) OR51E2TDP1
SCHEMBL29261752 0.73 TDP1 (0.35) TSHRALDH1A1OR51E2LMNATDP1
Cystine SCHEMBL8332360 0.71 PTGS1 (0.50) ALDH1A1
SCHEMBL5518553 0.71 GABRR1 (0.46) ENPEP
Cystine SCHEMBL5018669 0.71 PTGS1 (0.50) ALDH1A1
SCHEMBL11193240 0.71 GABRR1 (0.46) ENPEP
Cystine SCHEMBL21114356 0.71 PTGS1 (0.50) ALDH1A1
Cystine SCHEMBL8332353 0.71 PTGS1 (0.50) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118203671-A Nanometer medicinal composition based on charge assembly and having responsiveness, and preparation method and application thereof 锐康九域(厦门)医药科技有限公司 2024-06-18 CN claimed
CN-118203671-A Nanometer medicinal composition based on charge assembly and having responsiveness, and preparation method and application thereof 锐康九域(厦门)医药科技有限公司 2024-06-18 CN disclosed
US-5847061-A Process for producing polymers having terminal functional group which may be protected KURARAY CO., LTD. (JP) 1998-12-08 US disclosed
EP-0704460-B1 PROCESS FOR PRODUCING POLYMER TERMINATED WITH OPTIONALLY PROTECTED FUNCTIONAL GROUP KURARAY CO (JP) 1998-11-04 EP disclosed
EP-0704460-A1 PROCESS FOR PRODUCING POLYMER TERMINATED WITH OPTIONALLY PROTECTED FUNCTIONAL GROUP KURARAY CO., LTD. (JP) 1996-04-03 EP disclosed