SCHEMBL6790209

SCHEMBL6790209

CCCCCOC(=O)C(CCCC)OOCC

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.43
EPHX1 P07099 1/20 0.41
TSHR P16473 4/20 0.40
MAPK1 P28482 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HCAR2 Q8TDS4 2/20 0.39
ALDH1A1 P00352 2/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
RAD52 P43351 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
FAAH O00519 1/20 0.37
LMNA P02545 1/20 0.37
PLA2G2C Q5R387 1/20 0.36

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
SCHEMBL8422775 0.81 NAAA (0.48) NAAAEPHX1TSHRNPSR1HCAR2
SCHEMBL21585757 0.81 ALDH1A1 (0.39) TSHRMAPK1NPSR1MAPTHCAR2
SCHEMBL5185995 0.79 ALDH1A1 (0.35) EPHX1TSHRMAPK1L3MBTL1HCAR2
SCHEMBL8399370 0.79 ALDH1A1 (0.45) NAAAEPHX1TSHRMAPK1NPSR1
SCHEMBL7754152 0.78 CA2 (0.45) MAPK1MAPTCA1CA2
SCHEMBL210607 0.78 CA2 (0.40) MAPK1CA1CA2
SCHEMBL9487792 0.77 NAAA (0.48) NAAAEPHX1TSHRNPSR1HCAR2
SCHEMBL9486302 0.77 NAAA (0.48) NAAAEPHX1TSHRNPSR1HCAR2
SCHEMBL9486347 0.77 NAAA (0.48) NAAAEPHX1TSHRNPSR1HCAR2
SCHEMBL9486614 0.77 NAAA (0.48) NAAAEPHX1TSHRNPSR1HCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040039073-A1 Expandable styrene polymers containing carbon particles BASF AKTIENGESELLSCHAFT (DE) 2004-02-26 US disclosed