SCHEMBL6035952

SCHEMBL6035952

CCCCN[C@H](CC(C)C)C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.50
PLA2G2A P14555 2/20 0.41
PLA2G5 P39877 2/20 0.41
PLA2G10 O15496 2/20 0.40
ALOX15 P16050 1/20 0.38
MMP8 P22894 1/20 0.38
CA1 P00915 2/20 0.37
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37
CA2 P00918 1/20 0.37
EPHX1 P07099 2/20 0.37
NOD1 Q9Y239 1/20 0.37
ACHE P22303 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MEN1 O00255 1/20 0.35
FAAH O00519 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 1/20 0.35
MMP3 P08254 1/20 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
SCHEMBL27696190 1.00 BCHE (0.50) BCHEPLA2G2APLA2G5PLA2G10ALOX15
SCHEMBL13374712 1.00 BCHE (0.50) BCHEPLA2G2APLA2G5PLA2G10ALOX15
SCHEMBL28089035 0.95 BCHE (0.46) BCHEPLA2G2APLA2G5PLA2G10MMP8
SCHEMBL28089034 0.95 BCHE (0.46) BCHEPLA2G2APLA2G5PLA2G10MMP8
SCHEMBL18944204 0.93 MMP8 (0.46) BCHEPLA2G2APLA2G5PLA2G10MMP8
SCHEMBL10454099 0.93 MMP8 (0.46) BCHEPLA2G2APLA2G5PLA2G10MMP8
SCHEMBL18944050 0.93 MMP8 (0.46) BCHEPLA2G2APLA2G5PLA2G10MMP8
SCHEMBL6036734 0.93 MMP8 (0.46) BCHEPLA2G2APLA2G5PLA2G10MMP8
Hydrochloric Acid SCHEMBL7765619 0.91 MMP8 (0.45) BCHEPLA2G2APLA2G5PLA2G10MMP8
SCHEMBL6507883 0.89 BCHE (0.39) BCHEPLA2G2APLA2G5MMP8CA1

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
US-20060193847-A1 Peptides for inhibiting retroviruses HOWARD MARK E 2006-08-31 US disclosed
US-20030091586-A1 Peptides for inhibiting retroviruses HOWARD MARK E (US) 2003-05-15 US disclosed
EP-0971726-A4 PEPTIDES FOR INHIBITING RETROVIRUSES HOWARD MARK E (US) 2002-07-24 EP disclosed
EP-0971726-A1 PEPTIDES FOR INHIBITING RETROVIRUSES Howard, Mark E. (US) 2000-01-19 EP disclosed
WO-1998017301-A1 PEPTIDES FOR INHIBITING RETROVIRUSES HOWARD MARK E (US) 1998-04-30 WO disclosed