SCHEMBL10066865

SCHEMBL10066865

CCCCCCCCCCCSCC(=O)OC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.62
POLB P06746 2/20 0.62
GMNN O75496 1/20 0.62
TP53 P04637 1/20 0.62
MAPT P10636 1/20 0.62
THRB P10828 1/20 0.62
CYP2C9 P11712 1/20 0.62
BLM P54132 1/20 0.62
HSD17B10 Q99714 1/20 0.62
CES1 P23141 5/20 0.55
FAAH O00519 4/20 0.55
PLA2G6 O60733 1/20 0.55
EPHX1 P07099 4/20 0.47
CA2 P00918 2/20 0.46
CA12 O43570 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
POLA1 P09884 1/20 0.44
KDM1A O60341 1/20 0.42

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
SCHEMBL9857500 1.00 CES2 (0.62) CES2POLBGMNNTP53MAPT
SCHEMBL10745729 1.00 CES2 (0.62) CES2POLBGMNNTP53MAPT
SCHEMBL9873254 1.00 CES2 (0.62) CES2POLBGMNNTP53MAPT
SCHEMBL4300387 1.00 CES2 (0.62) CES2POLBGMNNTP53MAPT
SCHEMBL6887004 0.98 CES2 (0.59) CES2POLBGMNNTP53MAPT
SCHEMBL7139881 0.86 CES2 (0.47) CES2POLBGMNNTP53MAPT
SCHEMBL7135950 0.86 CES2 (0.47) CES2POLBGMNNTP53MAPT
SCHEMBL7132934 0.86 CES2 (0.47) CES2POLBGMNNTP53MAPT
SCHEMBL15282914 0.85 KDM1A (0.47) CES2POLBGMNNTP53MAPT
SCHEMBL14972396 0.84 TSHR (0.54) CES2POLBGMNNTP53MAPT

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-8178713-B2 Sulfur-containing phospholipid derivatives Pronovo Biopharma Norge AS (NO) 2012-05-15 US disclosed