SCHEMBL7091930

SCHEMBL7091930

O=C1CCCCC1N=Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
HPGD P15428 1/20 0.43
MCL1 Q07820 1/20 0.42
THRB P10828 2/20 0.39
ACHE P22303 2/20 0.38
BACE1 P56817 2/20 0.38
SLC18A3 Q16572 1/20 0.38
CA1 P00915 2/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
KDM4E B2RXH2 1/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
BCHE P06276 1/20 0.36
MT-CO2 P00403 1/20 0.36
ALOX5 P09917 1/20 0.36
ALDH1A1 P00352 2/20 0.36

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
SCHEMBL8085823 0.76 POLB (0.50) MAPTHPGDTHRBACHEBACE1
SCHEMBL4966437 0.74 POLB (0.54) MAPTHPGDTHRBACHEBACE1
SCHEMBL20848220 0.74 POLB (0.54) MAPTHPGDTHRBACHEBACE1
SCHEMBL4966443 0.74 POLB (0.54) MAPTHPGDTHRBACHEBACE1
SCHEMBL8415734 0.72 KMT2A (0.63) MAPTTHRBACHEBACE1KMT2A
SCHEMBL13754804 0.72 L3MBTL1 (0.56) MAPTHPGDTHRBACHEBACE1
SCHEMBL2680934 0.72 L3MBTL1 (0.56) MAPTHPGDTHRBACHEBACE1
SCHEMBL8415735 0.72 KMT2A (0.63) MAPTTHRBACHEBACE1KMT2A
SCHEMBL13957726 0.72 L3MBTL1 (0.56) MAPTHPGDTHRBACHEBACE1
SCHEMBL4893960 0.72 L3MBTL1 (0.56) MAPTHPGDTHRBACHEBACE1

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
WO-2003084662-A2 COVALENTLY FIXED LIGAND SYSTEMS, NON-METALLOCENE SYSTEMS AND CATALYST SYSTEMS, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF FOR POLYMERIZING OLEFINS CELANESE VENTURES GMBH (DE) 2003-10-16 WO disclosed