SCHEMBL9539768

SCHEMBL9539768

CCCCOC(=O)CC(C(=O)OCCCC)C(CC(=O)OCCCC)C(=O)OCCCC

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
NAAA Q02083 1/20 0.50
NPSR1 Q6W5P4 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
ATM Q13315 1/20 0.47
DGKA P23743 1/20 0.45
TSHR P16473 2/20 0.44
HPGD P15428 1/20 0.44
RAD52 P43351 1/20 0.43
FAAH O00519 1/20 0.42
HCAR2 Q8TDS4 1/20 0.41
HTR2C P28335 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
EPHX1 P07099 1/20 0.38

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
SCHEMBL29180902 0.94 NAAA (0.59) ALDH1A1NAAANPSR1L3MBTL1MAPT
SCHEMBL1254790 0.93 NAAA (0.44) ALDH1A1NAAANPSR1L3MBTL1MAPT
SCHEMBL1722151 0.92 NAAA (0.62) NAAANPSR1L3MBTL1MAPTMAPK1
SCHEMBL11196139 0.90 NAAA (0.46) ALDH1A1NAAANPSR1L3MBTL1MAPT
SCHEMBL14199948 0.87 NPSR1 (0.39) ALDH1A1NAAANPSR1L3MBTL1MAPT
SCHEMBL28342762 0.85 NAAA (0.53) NAAANPSR1L3MBTL1MAPTMAPK1
SCHEMBL27956601 0.84 NPSR1 (0.43) ALDH1A1NAAANPSR1L3MBTL1MAPT
SCHEMBL28340248 0.83 NAAA (0.52) ALDH1A1NAAANPSR1L3MBTL1MAPT
SCHEMBL3284531 0.83 NAAA (0.52) NAAANPSR1L3MBTL1MAPTMAPK1
SCHEMBL20203611 0.83 NAAA (0.56) NAAANPSR1L3MBTL1MAPTMAPK1

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
WO-1993014176-A1 REFRIGERANT COMPOSITIONS ETHYL CORPORATION (US) 1993-07-22 WO disclosed