SCHEMBL11580429

SCHEMBL11580429

CCCCCCCCCCCCCOC(=O)CC(CC(=O)O)C(=O)OCCCCCCCCCCCCC

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.55
NPSR1 Q6W5P4 2/20 0.48
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
RAD52 P43351 1/20 0.47
FAAH O00519 1/20 0.46
DGKA P23743 1/20 0.46
HTR2C P28335 1/20 0.45
HCAR2 Q8TDS4 1/20 0.44
GPR84 Q9NQS5 4/20 0.43
EPHX1 P07099 1/20 0.43
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
MMP13 P45452 1/20 0.43

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
SCHEMBL8669261 1.00 NAAA (0.55) NAAANPSR1MAPTMAPK1L3MBTL1
SCHEMBL25721446 0.93 NAAA (0.62) NAAANPSR1MAPTMAPK1L3MBTL1
SCHEMBL9016837 0.93 NAAA (0.62) NAAANPSR1MAPTMAPK1L3MBTL1
SCHEMBL16594571 0.93 NAAA (0.62) NAAANPSR1MAPTMAPK1L3MBTL1
SCHEMBL11403568 0.91 NAAA (0.59) NAAANPSR1MAPTMAPK1L3MBTL1
SCHEMBL27712380 0.90 NAAA (0.55) NAAANPSR1MAPTMAPK1L3MBTL1
SCHEMBL28010016 0.90 NAAA (0.55) NAAANPSR1MAPTMAPK1L3MBTL1
SCHEMBL27619677 0.88 NAAA (0.52) NAAANPSR1MAPTMAPK1L3MBTL1
SCHEMBL688858 0.86 NAAA (0.48) NAAANPSR1MAPK1RAD52HCAR2
SCHEMBL20893678 0.86 NAAA (0.58) NAAANPSR1MAPTMAPK1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4081420-A Carboxymethyloxysuccinic acid esters as plastic plasticizers LEVER BROTHERS COMPANY (US) 1978-03-28 US disclosed
US-3996150-A DETERGENT WITH SURFACTANT, BUILDER LEVER BROTHERS COMPANY (US) 1976-12-07 US disclosed
US-3943165-A DETERGENT SOLVENTS, PLASTICIZERS LEVER BROTHERS COMPANY (US) 1976-03-09 US disclosed