SCHEMBL8939170

SCHEMBL8939170

O=C(NCCNC(=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 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.56
USP2 O75604 3/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
ALDH1A1 P00352 2/20 0.52
MAPT P10636 1/20 0.52
LMNA P02545 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.48
TDP1 Q9NUW8 1/20 0.46
SLCO1B1 Q9Y6L6 1/20 0.42
KDM4E B2RXH2 2/20 0.40
TSHR P16473 1/20 0.37
ANPEP P15144 1/20 0.34
DNPEP Q9ULA0 1/20 0.34
PTGS1 P23219 1/20 0.32
KCNH2 Q12809 1/20 0.32
ALDH1A2 O94788 1/20 0.31
ALDH2 P05091 1/20 0.31
ALDH1A3 P47895 1/20 0.31

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
SCHEMBL16316374 1.00 PDE4A (0.56) PDE4AUSP2MEN1KMT2AALDH1A1
SCHEMBL25014974 0.94 PDE4A (0.50) PDE4AUSP2MEN1KMT2AALDH1A1
SCHEMBL9323008 0.92 PDE4A (0.52) PDE4AUSP2MEN1KMT2AALDH1A1
SCHEMBL8991473 0.92 PDE4A (0.52) PDE4AUSP2MEN1KMT2AALDH1A1
SCHEMBL4949039 0.92 USP2 (0.65) PDE4AUSP2MEN1KMT2AALDH1A1
SCHEMBL9321565 0.92 PDE4A (0.52) PDE4AUSP2MEN1KMT2AALDH1A1
SCHEMBL8018571 0.92 USP2 (0.65) PDE4AUSP2MEN1KMT2AALDH1A1
SCHEMBL31396233 0.91 PDE4A (0.47) PDE4AUSP2MEN1KMT2AALDH1A1
SCHEMBL12313466 0.91 KDM4E (0.47) PDE4AUSP2MEN1KMT2AALDH1A1
SCHEMBL8939100 0.91 KDM4E (0.47) PDE4AUSP2MEN1KMT2AALDH1A1

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-5521293-A Heteroatom containing alkyl aldonamide compounds as superior foaming, more soluble nonionic surfactants and a process for their manufacture LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) 1996-05-28 US disclosed