SCHEMBL8387652

SCHEMBL8387652

CCCCC#COOC(C)(C)C.CCCCC(CC(C)(OOC(C)(C)C)OOC(C)(C)C)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.40
MAPK1 P28482 1/20 0.40
SLC1A2 P43004 2/20 0.35
SLC1A1 P43005 2/20 0.35
SLC1A3 P43003 1/20 0.35
GRIK1 P39086 3/20 0.32
GRIK2 Q13002 3/20 0.32
CA1 P00915 1/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
PTGES O14684 1/20 0.31
ALOX5 P09917 1/20 0.31
PPARG P37231 1/20 0.31
CTSS P25774 1/20 0.30
CTSK P43235 1/20 0.30
CHRM1 P11229 1/20 0.30
AKR1A1 P14550 1/20 0.30
CHRM3 P20309 1/20 0.30
HTR2A P28223 1/20 0.30

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
SCHEMBL22530 0.85 CA2 (0.53) CA2MAPK1SLC1A2SLC1A1SLC1A3
SCHEMBL8429202 0.81 CA2 (0.49) CA2MAPK1SLC1A2SLC1A1SLC1A3
Cyclohexane SCHEMBL1991228 0.81 CA2 (0.49) CA2MAPK1SLC1A2SLC1A1SLC1A3
SCHEMBL3824724 0.76 TSHR (0.32)
SCHEMBL8387654 0.75 CA2 (0.37) CA2MAPK1SLC1A2SLC1A1SLC1A3
SCHEMBL2335987 0.74 CA2 (0.39) CA2MAPK1SLC1A2SLC1A1SLC1A3
SCHEMBL21456967 0.74 CA2 (0.39) CA2MAPK1SLC1A2SLC1A1SLC1A3
SCHEMBL1883197 0.74 CA2 (0.50) CA2MAPK1SLC1A2SLC1A1SLC1A3
SCHEMBL6763270 0.73 CA2 (0.46) CA2MAPK1SLC1A2SLC1A1SLC1A3
SCHEMBL31291504 0.72 PTGES (0.40) CA2MAPK1SLC1A2SLC1A1SLC1A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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