SCHEMBL11516052

SCHEMBL11516052

CCCCCC(C)(C)OOC(=O)OCC=CCOC(=O)OOC(C)(C)CCCCC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HCAR2 Q8TDS4 3/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
TSHR P16473 1/20 0.33
CES2 O00748 1/20 0.32
MBOAT4 Q96T53 1/20 0.31
FAAH O00519 2/20 0.30
GMNN O75496 1/20 0.30
USP2 O75604 1/20 0.30
CYP1A2 P05177 1/20 0.30
POLB P06746 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
APEX1 P27695 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
SCHEMBL11517813 0.88 TSHR (0.47) ATMMEN1MAPTKMT2AL3MBTL1
SCHEMBL11515057 0.85 ATM (0.45) ATMMEN1MAPTKMT2AL3MBTL1
SCHEMBL9625366 0.85 DGKA (0.40) ATMMEN1MAPTKMT2AL3MBTL1
SCHEMBL11514255 0.83 NAAA (0.43) ATMMEN1MAPTKMT2AL3MBTL1
SCHEMBL11516115 0.83 ATM (0.34) ATMMEN1MAPTKMT2AL3MBTL1
SCHEMBL11514705 0.83 ATM (0.37) ATMMEN1MAPTKMT2AL3MBTL1
SCHEMBL11516902 0.82 NAAA (0.46) ATMMEN1MAPTKMT2AL3MBTL1
SCHEMBL11516930 0.82 NAAA (0.46) ATMMEN1MAPTKMT2AL3MBTL1
SCHEMBL9625943 0.82 NAAA (0.46) ATMMEN1MAPTKMT2AL3MBTL1
SCHEMBL11514254 0.82 ATM (0.36) ATMMEN1MAPTKMT2AL3MBTL1

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-4136105-A POLYMERIZATION CATALYSTS, CURING AGENTS, FOR UNSATURATED POLYESTERS PENNWALT CORPORATION (US) 1979-01-23 US disclosed