SCHEMBL7553073

SCHEMBL7553073

C=CCCCCCCCCCOC(=O)CC(C(=O)OCCCCCCCCCCC)S(=O)(=O)O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.47
NAAA Q02083 1/20 0.44
TSHR P16473 3/20 0.42
FAAH O00519 2/20 0.42
NPSR1 Q6W5P4 2/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HCAR2 Q8TDS4 1/20 0.39
RAD52 P43351 1/20 0.39
PLA2G2C Q5R387 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL7554092 0.93 RECQL (0.40) RECQLNAAATSHRFAAHNPSR1
Propene SCHEMBL20592875 0.91 RECQL (0.50) RECQLNAAATSHRFAAHNPSR1
SCHEMBL789279 0.89 FAAH (0.53) RECQLNAAAFAAHMAPTALDH1A1
SCHEMBL19168911 0.89 RECQL (0.56) RECQLNAAATSHRFAAHNPSR1
SCHEMBL41417 0.89 RECQL (0.56) RECQLNAAATSHRFAAHNPSR1
SCHEMBL789457 0.89 RECQL (0.56) RECQLNAAATSHRFAAHNPSR1
SCHEMBL1420021 0.89 RECQL (0.56) RECQLNAAATSHRFAAHNPSR1
SCHEMBL41830 0.89 RECQL (0.56) RECQLNAAATSHRFAAHNPSR1
SCHEMBL18140598 0.89 RECQL (0.56) RECQLNAAATSHRFAAHNPSR1
SCHEMBL3806157 0.89 RECQL (0.56) RECQLNAAATSHRFAAHNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0866715-B1 COMBINATION OF A MYRTLE EXTRACT AND ANTIFUNGAL AGENTS FABRE PIERRE DERMO COSMETIQUE (FR) 2002-07-17 EP disclosed
EP-0866715-A1 COMBINATION OF A MYRTLE EXTRACT AND ANTIFUNGAL AGENTS Pierre Fabre Dermo-Cosmetique (FR) 1998-09-30 EP disclosed
WO-1997018823-A1 COMBINATION OF A MYRTLE EXTRACT AND ANTIFUNGAL AGENTS PIERRE FABRE DERMO-COSMETIQUE (FR) 1997-05-29 WO disclosed