SCHEMBL7715989

SCHEMBL7715989

C[C@@H](CCCC=CCCCC(=O)OCc1ccccc1)N(CC(O[SiH](C)C)C(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ABCB11 O95342 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
PTGFR P43088 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
LMNA P02545 1/20 0.32
TOP1 P11387 1/20 0.31
SYK P43405 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL7719950 0.84 HDAC6 (0.36) L3MBTL1MEN1KMT2AKDM4EMAPT
SCHEMBL7719008 0.83 L3MBTL1 (0.38) BACE1L3MBTL1MEN1KMT2AKDM4E
SCHEMBL7719007 0.83 L3MBTL1 (0.38) BACE1L3MBTL1MEN1KMT2AKDM4E
SCHEMBL7715986 0.78 L3MBTL1 (0.36) L3MBTL1MEN1KMT2AKDM4EABCB11
SCHEMBL7715985 0.78 L3MBTL1 (0.36) L3MBTL1MEN1KMT2AKDM4EABCB11
SCHEMBL31170532 0.69 L3MBTL1 (0.49) L3MBTL1MAPK1ALDH1A1LMNASYK
SCHEMBL24208084 0.69 BACE1 (0.42) BACE1L3MBTL1MAPK1ALDH1A1SYK
SCHEMBL20960127 0.67 ALDH1A1 (0.45) L3MBTL1MEN1KMT2AMAPTMAPK1
SCHEMBL1626511 0.67 L3MBTL1 (0.48) L3MBTL1KMT2AMAPK1ALDH1A1LMNA
SCHEMBL16614391 0.66 ADORA3 (0.59) L3MBTL1KMT2AMAPK1ALDH1A1LMNA

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