SCHEMBL11517239

SCHEMBL11517239

CCCCCC(C)(C)OOC(=O)OCCOC(C)=O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
TSHR P16473 3/20 0.38
ATM Q13315 2/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
DGKA P23743 1/20 0.36
FAAH O00519 1/20 0.34
HCAR2 Q8TDS4 2/20 0.33
NAAA Q02083 1/20 0.33
THRB P10828 1/20 0.32
PKM P14618 1/20 0.32
CES2 O00748 2/20 0.32
ACHE P22303 1/20 0.32
LMNA P02545 1/20 0.31
HSD17B10 Q99714 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL9625366 0.94 DGKA (0.40) ALDH1A1TSHRATMMEN1MAPT
SCHEMBL6923591 0.89 DGKA (0.37) ALDH1A1ATMMEN1MAPTKMT2A
SCHEMBL11514255 0.89 NAAA (0.43) ALDH1A1TSHRATMMEN1MAPT
SCHEMBL11514705 0.89 ATM (0.37) ALDH1A1TSHRATMMEN1MAPT
SCHEMBL11516943 0.87 NAAA (0.46) ALDH1A1TSHRATMMEN1MAPT
SCHEMBL9625943 0.87 NAAA (0.46) ALDH1A1TSHRATMMEN1MAPT
SCHEMBL11516902 0.87 NAAA (0.46) ALDH1A1TSHRATMMEN1MAPT
SCHEMBL11516930 0.87 NAAA (0.46) ALDH1A1TSHRATMMEN1MAPT
SCHEMBL11516812 0.86 MAPT (0.36) ALDH1A1TSHRATMMEN1MAPT
SCHEMBL11515685 0.85 MEN1 (0.42) TSHRATMMEN1MAPTKMT2A

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