SCHEMBL11058844

SCHEMBL11058844

CCCCCCCCCCOC(C)CO[N+](=O)OCC(C)OCCCCCCCCCC

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 1/20 0.40
LPAR1 Q92633 6/20 0.38
LPAR3 Q9UBY5 6/20 0.38
LPAR2 Q9HBW0 2/20 0.35
USP2 O75604 1/20 0.34
SPHK1 Q9NYA1 1/20 0.34
HTT P42858 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
NAAA Q02083 1/20 0.33

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
SCHEMBL11059068 0.92 TDP1 (0.33) DNM1LPAR1LPAR3
SCHEMBL11058842 0.86 ALDH1A1 (0.38) DNM1LPAR1LPAR3LPAR2SPHK1
SCHEMBL27554399 0.78 DNM1 (0.47) DNM1LPAR1LPAR3LPAR2USP2
SCHEMBL11059065 0.78 ALDH1A1 (0.34)
SCHEMBL2979667 0.76 USP2 (0.52) DNM1LPAR1LPAR3LPAR2USP2
SCHEMBL8641219 0.76 USP2 (0.52) DNM1LPAR1LPAR3LPAR2USP2
SCHEMBL10133129 0.76 USP2 (0.52) DNM1LPAR1LPAR3LPAR2USP2
SCHEMBL13966880 0.76 USP2 (0.52) DNM1LPAR1LPAR3LPAR2USP2
SCHEMBL8646854 0.76 USP2 (0.52) DNM1LPAR1LPAR3LPAR2USP2
SCHEMBL16338301 0.76 USP2 (0.52) DNM1LPAR1LPAR3LPAR2USP2

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-4448587-A ALKYL NITRATES AND ALKOXYALKYL NITRATES AS ADDITIVES ETHYL CORPORATION (US) 1984-05-15 US disclosed