SCHEMBL7715985

SCHEMBL7715985

C[C@@H](CCC/C=C\CCCC(=O)OCc1ccccc1)N(CCO[Si](C)(C)C(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.36
BTN3A1 O00481 2/20 0.34
MAPT P10636 2/20 0.34
POLB P06746 2/20 0.33
GAA P10253 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ABCB11 O95342 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
PTGFR P43088 1/20 0.32

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
SCHEMBL7715986 1.00 L3MBTL1 (0.36) L3MBTL1BTN3A1MAPTPOLBGAA
SCHEMBL7719007 0.87 L3MBTL1 (0.38) L3MBTL1MAPTKDM4EMEN1ABCB11
SCHEMBL7719008 0.87 L3MBTL1 (0.38) L3MBTL1MAPTKDM4EMEN1ABCB11
SCHEMBL7805334 0.84 EPHX2 (0.33) L3MBTL1MAPTPOLBKDM4EMEN1
SCHEMBL7719949 0.84 EPHX2 (0.33) L3MBTL1MAPTPOLBKDM4EMEN1
SCHEMBL7715989 0.78 BACE1 (0.33) L3MBTL1MAPTKDM4EMEN1ABCB11
SCHEMBL7718969 0.77 L3MBTL1 (0.30) L3MBTL1
SCHEMBL21959487 0.75 ALDH1A1 (0.37) L3MBTL1BTN3A1MAPK1
SCHEMBL25182464 0.75 LTA4H (0.47) L3MBTL1MAPK1
SCHEMBL7308118 0.74 ALDH1A1 (0.46) L3MBTL1BTN3A1KDM4EMEN1MAPK1

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
US-6384026-B1 Macrocyclic polyamine lactones and derivatives thereof and their use as arthropod repellents CORNELL RESEARCH FOUNDATION, INC. 2002-05-07 US disclosed
EP-1067921-A4 MACROCYCLIC POLYAMINE LACTONES AND DERIVATIVES THEREOF AND THEIR USE AS ARTHROPOD REPELLENTS CORNELL RES FOUNDATION INC (US) 2001-06-27 EP disclosed
EP-1067921-A1 MACROCYCLIC POLYAMINE LACTONES AND DERIVATIVES THEREOF AND THEIR USE AS ARTHROPOD REPELLENTS CORNELL RESEARCH FOUNDATION (US) 2001-01-17 EP disclosed
WO-1999051222-A1 MACROCYCLIC POLYAMINE LACTONES AND DERIVATIVES THEREOF AND THEIR USE AS ARTHROPOD REPELLENTS CORNELL RESEARCH FOUNDATION, INC. (US) 1999-10-14 WO disclosed