SCHEMBL5015177

SCHEMBL5015177

CCCC(N)C(O)CC(O)=S

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.35
SPHK1 Q9NYA1 2/20 0.35
LMNA P02545 2/20 0.35
GMNN O75496 1/20 0.35
POLB P06746 1/20 0.35
THPO P40225 1/20 0.35
MTOR P42345 1/20 0.35
BLM P54132 1/20 0.35
KDM4E B2RXH2 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
CETP P11597 1/20 0.35
HTT P42858 1/20 0.35
UBE2N P61088 1/20 0.35
CSNK1E P49674 1/20 0.32
AOC3 Q16853 2/20 0.32
GRIK1 P39086 1/20 0.31
SLC1A3 P43003 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
SCHEMBL17785090 1.00 CYP2D6 (0.35) CYP2D6SPHK1LMNAGMNNPOLB
SCHEMBL27460742 0.78 GPR84 (0.44) SPHK1LMNAGRIK1SLC1A3SLC1A2
SCHEMBL1719662 0.76 CYP2D6 (0.48) CYP2D6SPHK1LMNAGMNNPOLB
SCHEMBL2484739 0.76 CYP2D6 (0.48) CYP2D6SPHK1LMNAGMNNPOLB
SCHEMBL289173 0.75
Ammonia Solution, Strong SCHEMBL17695275 0.74 CYP2D6 (0.46) CYP2D6SPHK1LMNAGMNNPOLB
SCHEMBL14753958 0.74
SCHEMBL4208579 0.74
SCHEMBL1132673 0.72
SCHEMBL11669917 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1639080-A4 A LIBRARY OF PHYLOGENETICALLY RELATED SEQUENCES COGNETIX INC (US) 2008-10-01 EP disclosed
EP-1639080-A2 A LIBRARY OF PHYLOGENETICALLY RELATED SEQUENCES Cognetix, Inc. (US) 2006-03-29 EP disclosed
WO-2004108901-A2 A LIBRARY OF PHYLOGENETICALLY RELATED SEQUENCES COGNETIX, INC. (US) 2004-12-16 WO disclosed
US-20040248189-A1 Method of making a library of phylogenetically related sequences NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-12-09 US disclosed