SCHEMBL11800511

SCHEMBL11800511

CCCCCCCCCCCCCCCCCCCCCCN[C@H](C(=O)O)[C@@H](C)CC

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.51
ALDH1A1 P00352 1/20 0.49
PLA2G2A P14555 1/20 0.46
PLA2G5 P39877 1/20 0.46
EPHX1 P07099 7/20 0.44
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
ACE2 Q9BYF1 1/20 0.42
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
GPR84 Q9NQS5 3/20 0.41
FFAR1 O14842 1/20 0.41
MAPT P10636 1/20 0.40
CASP2 P42575 1/20 0.40

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
SCHEMBL27905915 1.00 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1PLA2G2APLA2G5EPHX1
SCHEMBL11796686 1.00 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1PLA2G2APLA2G5EPHX1
SCHEMBL26122722 1.00 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1PLA2G2APLA2G5EPHX1
SCHEMBL17939720 1.00 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1PLA2G2APLA2G5EPHX1
SCHEMBL28031785 0.98 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1PLA2G2APLA2G5EPHX1
SCHEMBL28032316 0.98 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1PLA2G2APLA2G5EPHX1
SCHEMBL9828860 0.98 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1PLA2G2APLA2G5EPHX1
Water SCHEMBL27944924 0.96 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1PLA2G2APLA2G5EPHX1
SCHEMBL4704258 0.92 ALDH1A1 (0.52) SMN1; SMN2ALDH1A1PLA2G2APLA2G5MAPK1
SCHEMBL4704256 0.92 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
US-3950277-A LIPASE ENZYME AND ACTIVATORS, ALKYLNAPHTHALENE SULFONATE THE PROCTER & GAMBLE COMPANY (US) 1976-04-13 US disclosed