SCHEMBL13754602

SCHEMBL13754602

C=C(CCCCCCC)[C@@H](N)CCSC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 3/20 0.35
SPHK2 Q9NRA0 1/20 0.34
CYP2D6 P10635 2/20 0.33
NOD1 Q9Y239 2/20 0.33
ANPEP P15144 1/20 0.33
ENPEP Q07075 1/20 0.33
GMNN O75496 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
THPO P40225 1/20 0.33
MTOR P42345 1/20 0.33
BLM P54132 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
CETP P11597 1/20 0.33
HTT P42858 1/20 0.33
UBE2N P61088 1/20 0.33

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
SCHEMBL12128370 0.98 ANPEP (0.34) SPHK1SPHK2CYP2D6NOD1ANPEP
SCHEMBL13191824 0.93 ANPEP (0.35) ANPEPENPEPOPRM1
SCHEMBL91243 0.85 ANPEP (0.38) ANPEPENPEP
SCHEMBL12928341 0.82 ANPEP (0.35) ANPEPENPEP
SCHEMBL29328248 0.81 OPRM1 (0.39) SPHK1SPHK2CYP2D6NOD1GMNN
SCHEMBL26537541 0.80 ANPEP (0.38) SPHK1ANPEPFNTAFNTB
SCHEMBL22986927 0.77 SPHK2 (0.41) SPHK1SPHK2FFAR4FFAR1
SCHEMBL804904 0.77 ANPEP (0.40) ANPEPENPEP
SCHEMBL16215356 0.77 ANPEP (0.36) ANPEPENPEP
Stearic Acid SCHEMBL10341020 0.76 BHMT (0.62) BHMTFFAR4FFAR1

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-20090202579-A1 METHODS AND COMPOSITIONS FOR TREATING AND PREVENTING MALARIA (2) THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL (AU) 2009-08-13 US disclosed