SCHEMBL8003157

SCHEMBL8003157

COc1ccc(CSCCC(=O)O)cc1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.64
ALDH1A1 P00352 4/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
PKM P14618 1/20 0.60
PDE4B Q07343 1/20 0.53
FFAR1 O14842 2/20 0.53
GLA P06280 1/20 0.49
HPGD P15428 1/20 0.49
LDHA P00338 1/20 0.49
GAA P10253 1/20 0.48
CYP1A2 P05177 1/20 0.48
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
IDO1 P14902 2/20 0.47
F2RL1 P55085 1/20 0.47
EPHX1 P07099 1/20 0.47
ACE P12821 1/20 0.46

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
SCHEMBL7355822 0.87 ALDH1A1 (0.60) CYP2C19ALDH1A1SMN1; SMN2PKMGLA
SCHEMBL530979 0.86 PDE4B (0.54) CYP2C19ALDH1A1SMN1; SMN2PKMPDE4B
SCHEMBL11270372 0.84 ALDH1A1 (0.58) CYP2C19ALDH1A1SMN1; SMN2PKMGLA
SCHEMBL498480 0.83 CYP1A2 (0.67) ALDH1A1SMN1; SMN2PKMLDHAGAA
SCHEMBL7997853 0.81 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2PKMGLAHPGD
SCHEMBL7716565 0.81 CYP2C19 (0.70) CYP2C19ALDH1A1SMN1; SMN2PKMFFAR1
SCHEMBL28695436 0.80 CYP2C19 (0.58) CYP2C19ALDH1A1SMN1; SMN2PKMFFAR1
SCHEMBL6509444 0.79 ALDH1A1 (0.47) CYP2C19ALDH1A1SMN1; SMN2PKMFFAR1
SCHEMBL8841048 0.79 IDO1 (0.53) ALDH1A1SMN1; SMN2PKMGAAIDO1
SCHEMBL17045908 0.78 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2PKMGLAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-61007247-A None JP disclosed
WO-2009113320-A1 MMP INHIBITOR 株式会社ヤクルト本社 (JP) 2009-09-17 WO disclosed
EP-0710243-B1 SYNTHESIS OF CYCLIC PEPTIDES FERRING BV (NL) 2000-06-14 EP disclosed
US-5990273-A INCUBATING NON-CYCLIC PEPTIDE IN PROTIC SOLVENT AT NEUTRAL OR ACIDIC PH WITH IODINE DISSOLVED IN PROTIC SOLVENT TO CONVERT PROTECTED OR NONPROTECTED SULFHYDRYL GROUPS TO DISULFIDE MOIETY, PURIFYING BY CHROMATOGRAPHY; VASSOPRESSINS/OXYTOCINS FERRING B.V. (SE) 1999-11-23 US disclosed
US-5726287-A ONE STEP, SIMPLE, EFFICIENT FERRING AB (SE) 1998-03-10 US disclosed
US-5596078-A Synthesis of cyclic peptides FERRING AB (SE) 1997-01-21 US disclosed
EP-0710243-A1 IMPROVED SYNTHESIS OF CYCLIC PEPTIDES FERRING B.V. (NL) 1996-05-08 EP disclosed
WO-1995001368-A1 IMPROVED SYNTHESIS OF CYCLIC PEPTIDES FERRING B.V. (NL) 1995-01-12 WO disclosed
JP-S617247-A S-P-METHOXYBENZYLTHIOPROPIONIC ACID DERIVATIVE SUMITOMO CHEM CO LTD 1986-01-13 JP disclosed
EP-0013261-B1 GUAIACOL ESTERS OF ALPHA- AND BETA-MERCAPTOPROPIONYLALANINE AND ALPHA- AND BETA-MERCAPTOPROPIONYLGLYCINE, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 1982-12-01 EP disclosed
US-4299842-A TREATMENT OF RESPIRATORY SYSTEM DISORDERS, NUCOLYTIC AGENTS CAVAZZA CLAUDIO 1981-11-10 US disclosed
US-4285858-A ANTIHEMOPHILIC FACTOR; HEMOSTATIC AGENTS; ANTICOAGULANTS AND COAGULANTS MT. SINAI SCHOOL OF MEDICINE OF THE CITY UNIVERSITY OF N.Y. (US) 1981-08-25 US disclosed
EP-0029659-A2 Vasopressin analogs, processes for their production and a method of treating mammals Cort, Joseph H. (US) 1981-06-03 EP disclosed
EP-0013261-A1 Guaiacol esters of alpha- and beta-mercaptopropionylalanine and alpha- and beta-mercaptopropionylglycine, process for their preparation and pharmaceutical compositions containing same Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 1980-07-09 EP disclosed
US-4210636-A Antisecretory polypeptides AMERICAN HOME PRODUCTS CORPORATION (US) 1980-07-01 US disclosed
US-4180500-A Polypeptides related to somatostatin AMERICAN HOME PRODUCTS CORPORATION (US) 1979-12-25 US disclosed