SCHEMBL7719007

SCHEMBL7719007

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

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.38
TOP1 P11387 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ABCB11 O95342 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
PTGFR P43088 1/20 0.35
BACE1 P56817 1/20 0.35
SYK P43405 1/20 0.34
USP2 O75604 1/20 0.34

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
SCHEMBL7719008 1.00 L3MBTL1 (0.38) L3MBTL1TOP1KDM4EMEN1ABCB11
SCHEMBL7715986 0.87 L3MBTL1 (0.36) L3MBTL1KDM4EMEN1ABCB11MAPT
SCHEMBL7715985 0.87 L3MBTL1 (0.36) L3MBTL1KDM4EMEN1ABCB11MAPT
SCHEMBL7715989 0.83 BACE1 (0.33) L3MBTL1TOP1KDM4EMEN1ABCB11
SCHEMBL31170532 0.76 L3MBTL1 (0.49) L3MBTL1MAPK1SYK
SCHEMBL24208084 0.75 BACE1 (0.42) L3MBTL1MAPK1BACE1SYK
SCHEMBL13460058 0.75 CCR6 (0.41) L3MBTL1BACE1SYK
SCHEMBL1626511 0.73 L3MBTL1 (0.48) L3MBTL1MAPK1KMT2ASYK
SCHEMBL25211503 0.73 L3MBTL1 (0.48) L3MBTL1MAPTMAPK1SYK
SCHEMBL1554885 0.71 SYK (0.51) L3MBTL1MAPTBACE1SYK

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 5 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-A9 MACROCYCLIC POLYAMINE LACTONES AND DERIVATIVES THEREOF AND THEIR USE AS ARTHROPOD REPELLENTS CORNELL RES FOUNDATION INC (US) 1999-12-02 WO 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