SCHEMBL11070809

SCHEMBL11070809

C=CCCCCCCCCC=CCCCN(C(=O)OCc1ccccc1)c1cccc(C(=O)Cl)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.35
ALDH1A1 P00352 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A3 Q01959 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
CCR6 P51684 1/20 0.33
PAX8 Q06710 1/20 0.33
TGM2 P21980 1/20 0.33
BCHE P06276 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
HCAR2 Q8TDS4 1/20 0.32
BTK Q06187 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GLRA1 P23415 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
SCHEMBL11490974 0.89 ALDH1A1 (0.40) ALDH1A1TDP1SLC6A2SLC6A3KMT2A
SCHEMBL11067692 0.81 ALDH1A1 (0.36) ALDH1A1TDP1MAPTHPGDCCR6
SCHEMBL11492891 0.79 ALDH1A1 (0.43) ALDH1A1MAPTHPGDPAX8PPARA
SCHEMBL3938149 0.74 ALDH1A1 (0.37) ALDH1A1TDP1SLC6A2SLC6A3KMT2A
SCHEMBL3935516 0.72 ALDH1A1 (0.40) ALDH1A1MAPTHPGDCCR6PAX8
SCHEMBL2615683 0.72 ALDH1A1 (0.47) ALDH1A1TDP1SLC6A2SLC6A3KMT2A
SCHEMBL11178153 0.71 ALDH1A1 (0.46) ALDH1A1TDP1SLC6A2SLC6A3KMT2A
SCHEMBL11067881 0.70 ALDH1A1 (0.41) ALDH1A1TDP1SLC6A2SLC6A3KMT2A
SCHEMBL11070772 0.70 PAX8 (0.50) ALDH1A1TDP1MAPTHPGDCCR6
SCHEMBL15001656 0.69 CCR6 (0.56) ALDH1A1TDP1SLC6A2SLC6A3KMT2A

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
US-4440940-A HYPOLIPIDEMIC AND ANTIATHEROSCLEROTIC AGENTS AMERICAN CYANAMID COMPANY (US) 1984-04-03 US disclosed