SCHEMBL8763108

SCHEMBL8763108

O=C(NCCCCCCCCCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.50
LMNA P02545 2/20 0.47
ALDH1A1 P00352 3/20 0.47
USP2 O75604 2/20 0.47
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A2 O94788 1/20 0.45
ALDH2 P05091 1/20 0.45
ALDH1A3 P47895 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
SLCO1B1 Q9Y6L6 1/20 0.38
KDM4E B2RXH2 3/20 0.36
METAP2 P50579 1/20 0.36
PTGS1 P23219 1/20 0.36
KCNH2 Q12809 1/20 0.36
MAPK1 P28482 1/20 0.35
HIF1A Q16665 1/20 0.35
NAAA Q02083 2/20 0.35

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
SCHEMBL8763069 1.00 PDE4A (0.50) PDE4ALMNAALDH1A1USP2MEN1
SCHEMBL8763289 1.00 PDE4A (0.50) PDE4ALMNAALDH1A1USP2MEN1
SCHEMBL3517475 1.00 PDE4A (0.50) PDE4ALMNAALDH1A1USP2MEN1
SCHEMBL3517791 1.00 PDE4A (0.50) PDE4ALMNAALDH1A1USP2MEN1
SCHEMBL8762542 1.00 PDE4A (0.50) PDE4ALMNAALDH1A1USP2MEN1
SCHEMBL3516462 0.98 PDE4A (0.48) PDE4ALMNAALDH1A1USP2MEN1
SCHEMBL3518310 0.98 PDE4A (0.48) PDE4ALMNAALDH1A1USP2MEN1
SCHEMBL3515150 0.98 PDE4A (0.48) PDE4ALMNAALDH1A1USP2MEN1
SCHEMBL3515021 0.98 PDE4A (0.48) PDE4ALMNAALDH1A1USP2MEN1
SCHEMBL9323008 0.98 PDE4A (0.52) PDE4ALMNAALDH1A1USP2MEN1

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-0541467-B1 Utilisation of amphiphilic alkyldiamides compounds with two sugar groups for the preparation of surface-active compositions STEPAN EUROPE (FR) 1997-06-25 EP disclosed
EP-0541467-A2 Alkyldiamides with two sugar groups as amphiphilic compounds STEPAN EUROPE (FR) 1993-05-12 EP disclosed