SCHEMBL8517982

SCHEMBL8517982

CCC(C)CC(S)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RNPEP Q9H4A4 3/20 0.62
FOLH1 Q04609 1/20 0.39
ACE P12821 3/20 0.38
MME P08473 2/20 0.38
CPA1 P15085 2/20 0.38
ACE2 Q9BYF1 2/20 0.38
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
PTGS2 P35354 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SLC1A3 P43003 1/20 0.35
SLC1A2 P43004 1/20 0.35
SLC1A1 P43005 1/20 0.35
SLC7A5 Q01650 1/20 0.34
ENPEP Q07075 2/20 0.34
ABCB11 O95342 1/20 0.33
F2 P00734 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL414209 0.82 RNPEP (0.58) RNPEPFOLH1ACE2ALDH1A1LMNA
SCHEMBL7712937 0.79 RNPEP (0.60) RNPEPFOLH1ALDH1A1LMNAMAPT
SCHEMBL6809903 0.78 RNPEP (0.58) RNPEPFOLH1ACEMMECPA1
SCHEMBL1682325 0.77 SLC1A3 (0.39) RNPEPACE2ALDH1A1MAPTTDP1
SCHEMBL9357548 0.77 SLC1A3 (0.39) RNPEPACE2ALDH1A1MAPTTDP1
SCHEMBL2203032 0.77
SCHEMBL2975896 0.77
SCHEMBL2978202 0.77
SCHEMBL11664443 0.77
SCHEMBL4871212 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101657424-B Dual-action antihypertensive agent THERAVANCE INC US 2014-09-24 CN disclosed
CN-101657424-A Dual-action antihypertensive agent THERAVANCE INC US 2010-02-24 CN disclosed
EP-0910351-A1 PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS G.D. Searle & Co. (US) 1999-04-28 EP disclosed
EP-0907666-A1 PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS G.D. Searle & Co. (US) 1999-04-14 EP disclosed
WO-1997049736-A2 PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS G.D. SEARLE AND CO. (US) 1997-12-31 WO disclosed
WO-1997049387-A1 PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS G.D. SEARLE AND CO. (US) 1997-12-31 WO disclosed
US-4391757-A Organic antimony containing stabilizer compositions for halogenated polymers CARSTAB CORPORATION (US) 1983-07-05 US disclosed