SCHEMBL7589241

SCHEMBL7589241

CCCCCCCCCCCCCCCCCC(=O)NCC(COC(c1ccccc1)(c1ccccc1)c1ccccc1)OCC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASAH1 Q13510 1/20 0.52
HDAC6 Q9UBN7 2/20 0.48
MAPK1 P28482 4/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
GMNN O75496 2/20 0.48
LMNA P02545 2/20 0.48
MAPT P10636 2/20 0.48
BLM P54132 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
TP53 P04637 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2D6 P10635 2/20 0.48
CYP2C9 P11712 2/20 0.48
ALOX15 P16050 2/20 0.48
NFKB1 P19838 2/20 0.48
CYP2C19 P33261 2/20 0.48
HIF1A Q16665 2/20 0.48
MTOR P42345 1/20 0.48
CYP1A2 P05177 1/20 0.48

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
SCHEMBL10940345 0.88 ASAH1 (0.51) ASAH1HDAC6EPHX2TLR2FAAH
SCHEMBL24340370 0.85 ASAH1 (0.58) ASAH1HDAC6MEN1KMT2ACYP3A4
SCHEMBL24340372 0.85 ASAH1 (0.58) ASAH1HDAC6MEN1KMT2ACYP3A4
SCHEMBL25707518 0.82 ASAH1 (0.41) ASAH1HDAC6EPHX2TLR2
SCHEMBL6348306 0.82 EPHX2 (0.51) ASAH1HDAC6MEN1KMT2AEPHX2
SCHEMBL6348309 0.82 EPHX2 (0.51) ASAH1HDAC6MEN1KMT2AEPHX2
SCHEMBL23373405 0.80 ASAH1 (0.43) ASAH1HDAC6EPHX2
SCHEMBL21297523 0.80 ASAH1 (0.43) ASAH1HDAC6EPHX2
SCHEMBL6346335 0.80 EPHX2 (0.56) ASAH1MEN1KMT2AEPHX2FAAH
SCHEMBL6346341 0.80 EPHX2 (0.56) ASAH1MEN1KMT2AEPHX2FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0702556-B1 (PHOSPHO)LIPIDS FOR COMBATTING HEPATITIS B VIRUS INFECTION UNIV WAKE FOREST (US) 2002-10-23 EP disclosed
US-6030960-A INHIBITING THE PRODUCTION OF HEPATITIS VIRUS-INDUCED ANTIGENS IN A HUMAN SUBJECT BY ADMINISTERING A COMPOUND WAKE FOREST UNIVERSITY (US) 2000-02-29 US disclosed
US-5770584-A ADMINISTERING AN ALKYL LIPID OR ALKYL LIPID DERIVATIVE VIRICIDES WAKE FOREST UNIVERSITY (US) 1998-06-23 US disclosed
EP-0702556-A1 (PHOSPHO)LIPIDS FOR COMBATTING HEPATITIS B VIRUS INFECTION WAKE FOREST UNIVERSITY (US) 1996-03-27 EP disclosed
WO-1994028908-A2 (PHOSPHO)LIPIDS FOR COMBATTING HEPATITIS B VIRUS INFECTION WAKE FOREST UNIVERSITY (US) 1994-12-22 WO disclosed