SCHEMBL8991473

SCHEMBL8991473

O=C(NCCCNC(=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 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.52
LMNA P02545 2/20 0.48
USP2 O75604 2/20 0.48
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 1/20 0.48
MAPT P10636 1/20 0.48
KMT2A Q03164 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.44
TDP1 Q9NUW8 1/20 0.42
SLCO1B1 Q9Y6L6 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A2 O94788 1/20 0.38
ALDH2 P05091 1/20 0.38
ALDH1A3 P47895 1/20 0.38
PTGS1 P23219 1/20 0.37
KCNH2 Q12809 1/20 0.37
ANPEP P15144 1/20 0.33
DNPEP Q9ULA0 1/20 0.33
GPBAR1 Q8TDU6 1/20 0.32
METAP2 P50579 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
SCHEMBL9321565 1.00 PDE4A (0.52) PDE4ALMNAUSP2ALDH1A1MEN1
SCHEMBL9323008 0.96 PDE4A (0.52) PDE4ALMNAUSP2ALDH1A1MEN1
SCHEMBL13727651 0.94 PDE4A (0.47) PDE4ALMNAUSP2ALDH1A1MEN1
SCHEMBL8763069 0.94 PDE4A (0.50) PDE4ALMNAUSP2ALDH1A1MEN1
SCHEMBL3517475 0.94 PDE4A (0.50) PDE4ALMNAUSP2ALDH1A1MEN1
SCHEMBL8763108 0.94 PDE4A (0.50) PDE4ALMNAUSP2ALDH1A1MEN1
SCHEMBL3517791 0.94 PDE4A (0.50) PDE4ALMNAUSP2ALDH1A1MEN1
SCHEMBL8762542 0.94 PDE4A (0.50) PDE4ALMNAUSP2ALDH1A1MEN1
SCHEMBL8763289 0.94 PDE4A (0.50) PDE4ALMNAUSP2ALDH1A1MEN1
SCHEMBL3515150 0.92 PDE4A (0.48) PDE4ALMNAUSP2ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5139784-A For moisturizing and/or softening dry skin REVLON, INC. (US) 1992-08-18 US claimed
JP-1143891-A None JP disclosed
JP-1143890-A None JP disclosed
EP-0447064-B1 Alkyl diamides and cosmetic treating compositions therewith REVLON CONSUMER PROD CORP (US) 1996-07-24 EP disclosed
EP-0312086-B1 Polysulfuric esters of amides of bis-aldonic acids and their derivatives, a method for their preparation and a drug LUITPOLD PHARMA GMBH (DE) 1994-02-02 EP disclosed
EP-0312087-B1 AMIDES OF BIS-ALDONIC ACIDS AND A METHOD FOR THEIR PREPARATION LUITPOLD PHARMA GmbH (DE) 1993-09-15 EP disclosed
US-5037973-A Hydroxy containing amides, optionally with sugar units, intermediates for polysulfuric acid esters, pharmaceuticals LUITPOLD-WERK CHEMISCH-PHARMAZEUTISCHE FABRIK GMBH & CO. (DE) 1991-08-06 US disclosed
US-5008247-A Anticoagulants, antinflammatory agents LUITPOLD-WERK CHEMISCH-PHARMAZEUTISCHE FABRIK GMBH & CO. (DE) 1991-04-16 US disclosed
JP-H01143891-A BIS-ALDONAMIDES AND PROCESS FOR THEIR PREPARATION LUITPOLD WERK CHEM PHARMZ FAB 1989-06-06 JP disclosed
JP-H01143890-A POLYSULFURIC ACID ESTERS OF BIS-ALDONAMIDES AND THEIR DERIVATIVES AND PROCESS FOR THEIR PREPARATION LUITPOLD WERK CHEM PHARMZ FAB 1989-06-06 JP disclosed
EP-0312087-A2 Amides of bis-aldonic acids and a method for their preparation LUITPOLD PHARMA GmbH (DE) 1989-04-19 EP disclosed
EP-0312086-A2 Polysulfuric esters of amides of bis-aldonic acids and their derivatives, a method for their preparation and a drug LUITPOLD PHARMA GmbH (DE) 1989-04-19 EP disclosed