SCHEMBL7474785

SCHEMBL7474785

CCCCCCC(CSC(C)=O)C(=O)O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 1/20 0.73
GRIK1 P39086 2/20 0.53
GRIK2 Q13002 2/20 0.53
CA2 P00918 2/20 0.50
SLC1A2 P43004 2/20 0.50
SLC1A1 P43005 2/20 0.50
MAPK1 P28482 1/20 0.50
GPR84 Q9NQS5 5/20 0.48
FFAR1 O14842 1/20 0.48
MAPT P10636 1/20 0.47
LCK P06239 1/20 0.47
PPARD Q03181 1/20 0.47
ZDHHC20 Q5W0Z9 1/20 0.47
ZDHHC2 Q9UIJ5 1/20 0.47
ACE2 Q9BYF1 1/20 0.44
SLC1A3 P43003 1/20 0.43
CHRM1 P11229 1/20 0.42
AKR1A1 P14550 1/20 0.42
CHRM3 P20309 1/20 0.42
HTR2A P28223 1/20 0.42

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
SCHEMBL6470771 0.93 CPB2 (0.67) CPB2GRIK1GRIK2CA2SLC1A2
SCHEMBL6470772 0.93 CPB2 (0.67) CPB2GRIK1GRIK2CA2SLC1A2
SCHEMBL7439013 0.85 CPB2 (0.61) CPB2GRIK1GRIK2CA2SLC1A2
SCHEMBL2700664 0.83 GRIK1 (0.58) CPB2GRIK1GRIK2CA2SLC1A2
SCHEMBL14353405 0.83 GRIK1 (0.58) CPB2GRIK1GRIK2CA2SLC1A2
SCHEMBL6287025 0.83 GRIK1 (0.58) CPB2GRIK1GRIK2CA2SLC1A2
SCHEMBL6286836 0.83 GRIK1 (0.58) CPB2GRIK1GRIK2CA2SLC1A2
SCHEMBL6278792 0.83 GRIK1 (0.58) CPB2GRIK1GRIK2CA2SLC1A2
SCHEMBL6277982 0.83 GRIK1 (0.58) CPB2GRIK1GRIK2CA2SLC1A2
Acetic Acid SCHEMBL5928155 0.81 GRIK1 (0.63) GRIK1GRIK2CA2SLC1A2SLC1A1

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
US-5262436-A Administering; enzyme inhibitor SCHERING CORPORATION (US) 1993-11-16 US disclosed
EP-0566157-A1 Neutral metalloendopeptidase inhibitors in the treatment of hypertension SCHERING CORPORATION (US) 1993-10-20 EP disclosed
US-5061710-A Atrial natriuretic factors SCHERING CORPORATION (US) 1991-10-29 US disclosed
US-4929641-A DIURETICS, ANGIOTENSIN CONVERTING ENZYMES SCHERING CORPORATION (US) 1990-05-29 US disclosed
US-4801609-A Mercapto-acylamino acid antihypertensives SCHERING CORPORATION (US) 1989-01-31 US disclosed
EP-0254032-A2 Neutral metalloendopeptidase inhibitors in the treatment of hypertension SCHERING CORPORATION (US) 1988-01-27 EP disclosed