SCHEMBL28032316

SCHEMBL28032316

CCCCCCCCCCCCCCCCCCNC(C(=O)O)C(C)CC.[NaH]

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.50
ALDH1A1 P00352 1/20 0.47
PLA2G2A P14555 1/20 0.45
PLA2G5 P39877 1/20 0.45
EPHX1 P07099 7/20 0.43
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
ACE2 Q9BYF1 1/20 0.41
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
GPR84 Q9NQS5 3/20 0.40
FFAR1 O14842 1/20 0.40
MAPT P10636 1/20 0.39
CASP2 P42575 1/20 0.39

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
SCHEMBL28031785 1.00 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1PLA2G2APLA2G5EPHX1
SCHEMBL11796686 0.98 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1PLA2G2APLA2G5EPHX1
SCHEMBL27905915 0.98 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1PLA2G2APLA2G5EPHX1
SCHEMBL11800511 0.98 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1PLA2G2APLA2G5EPHX1
SCHEMBL17939720 0.98 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1PLA2G2APLA2G5EPHX1
SCHEMBL26122722 0.98 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1PLA2G2APLA2G5EPHX1
SCHEMBL9828860 0.96 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1PLA2G2APLA2G5EPHX1
Water SCHEMBL27944924 0.95 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1PLA2G2APLA2G5EPHX1
SCHEMBL4704258 0.91 ALDH1A1 (0.52) SMN1; SMN2ALDH1A1PLA2G2APLA2G5MAPK1
SCHEMBL4704256 0.91 ALDH1A1 (0.52) SMN1; SMN2ALDH1A1PLA2G2APLA2G5MAPK1

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
CN-104955472-A Fatty acid acylated amino acids for growth hormone delivery NOVO NORDISK HEALTHCARE AG 2015-09-30 CN disclosed