SCHEMBL9474155

SCHEMBL9474155

CC(=O)SC(C)(Cc1ccccc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.47
HIF1A Q16665 1/20 0.47
SLC6A2 P23975 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
ALDH1A1 P00352 4/20 0.42
RECQL P46063 2/20 0.42
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 1/20 0.40
CYP2D6 P10635 1/20 0.40
MMP8 P22894 4/20 0.40
CYP1A2 P05177 1/20 0.40
TRPA1 O75762 1/20 0.40
RIPK1 Q13546 2/20 0.39

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
SCHEMBL10588553 1.00 SMN1; SMN2 (0.47) SMN1; SMN2HIF1ASLC6A2TAAR1ALDH1A1
SCHEMBL10952521 0.91 GGPS1 (0.41) SMN1; SMN2HIF1ASLC6A2TAAR1ALDH1A1
SCHEMBL7434331 0.86 SMN1; SMN2 (0.41) SMN1; SMN2HIF1ASLC6A2TAAR1ALDH1A1
SCHEMBL11592767 0.83 SMN1; SMN2 (0.52) SMN1; SMN2HIF1ASLC6A2TAAR1ALDH1A1
SCHEMBL31588359 0.83 SLC13A5 (0.44) SLC6A2CYP2D6CYP1A2
SCHEMBL9107668 0.81 SMN1; SMN2 (0.50) SMN1; SMN2HIF1ASLC6A2TAAR1ALDH1A1
SCHEMBL13332178 0.81 ALDH1A1 (0.59) SMN1; SMN2TAAR1ALDH1A1RECQLLMNA
SCHEMBL11827986 0.74 SLC13A5 (0.51) SLC6A2PPARGPPARALMNA
SCHEMBL28168069 0.73 ALDH1A1 (0.67) SMN1; SMN2HIF1AALDH1A1RECQLCYP3A4
SCHEMBL27908890 0.72 SMN1; SMN2 (0.57) SMN1; SMN2HIF1ASLC6A2TAAR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115583903-B Method for rapidly preparing racecadotril 湖北广辰药业有限公司 2024-05-28 CN disclosed
CN-115583903-A Method for rapidly preparing racecadotril 湖北广辰药业有限公司 2023-01-10 CN disclosed
CN-108430968-A Industrial process for the preparation of (5S,10S) -10-benzyl-16-methyl-11, 14, 18-trioxo-15, 17, 19-trioxa-2, 7, 8-trithia-12-azaheneicosane-5-ammonium (E) -3-carboxy acrylate 领先药物公司 2018-08-21 CN disclosed
US-5208255-A Enzyme inhibitors and treatment of cardiovascular disorders SOCIETE CIVILE BIOPROJET (FR) 1993-05-04 US disclosed
CN-1033803-A The preparation of hypotensive agent mercapto-acylamino acid SCHERING CORP (US) 1989-07-12 CN disclosed
EP-0322633-A1 Mercapto-acylamino acid antihypertensives SCHERING CORPORATION (US) 1989-07-05 EP disclosed