SCHEMBL6545462

SCHEMBL6545462

C=CCN(CC=C)P(=O)(OCC(=O)OCC)c1ccc(OCC(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 3/20 0.39
HTT P42858 3/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 5/20 0.36
TRPM8 Q7Z2W7 1/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
TP53 P04637 2/20 0.34
KMT2A Q03164 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
POLB P06746 1/20 0.34
ACACB O00763 1/20 0.33
SMPD1 P17405 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
SCHEMBL6546182 0.90 MAPT (0.44) NPSR1SMN1; SMN2GAALMNAMAPT
SCHEMBL6545334 0.83 SMN1; SMN2 (0.42) NPSR1SMN1; SMN2GAAMAPTTRPM8
SCHEMBL7201570 0.70 ADAM17 (0.38) NPSR1SMN1; SMN2GAAHTTLMNA
SCHEMBL6545932 0.67 LMNA (0.43) SMN1; SMN2GAAHTTLMNAMAPT
SCHEMBL2624372 0.66 GAA (0.62) NPSR1GAALMNAMAPTTRPM8
SCHEMBL8417819 0.65 SMN1; SMN2 (0.47) NPSR1SMN1; SMN2GAAHTTMAPT
SCHEMBL31488094 0.65 MAPT (0.53) NPSR1SMN1; SMN2GAAHTTMAPT
SCHEMBL8421528 0.65 SMN1; SMN2 (0.61) NPSR1SMN1; SMN2GAALMNAMAPT
SCHEMBL15063418 0.64 PPARA (0.56) NPSR1GAALMNAKDM4EALDH1A1
SCHEMBL6773891 0.64 TSHR (0.47) NPSR1SMN1; SMN2GAAMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1379533-A2 NOVEL CYCLO AZAPHOSPHA HYDROCARBONS Leo Pharma A/S (DK) 2004-01-14 EP disclosed
WO-2002083696-A2 NOVEL CYCLO AZAPHOSPHA HYDROCARBONS LEO PHARMA A/S (DK) 2002-10-24 WO disclosed