SCHEMBL6473343

SCHEMBL6473343

COCOc1ccc(-c2ccc(C)cc2)c(/C=C/Br)c1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FYN P06241 5/20 0.37
EGFR P00533 1/20 0.34
MAOB P27338 2/20 0.34
BACE1 P56817 2/20 0.34
KDM1A O60341 1/20 0.33
MAPK1 P28482 1/20 0.33
SYK P43405 1/20 0.33
RELA Q04206 1/20 0.32
ALKBH3 Q96Q83 1/20 0.32
PDE10A Q9Y233 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ADORA3 P0DMS8 1/20 0.30
ADORA1 P30542 1/20 0.30

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
SCHEMBL6473730 1.00 FYN (0.37) FYNEGFRMAOBBACE1KDM1A
SCHEMBL6473346 0.92 FYN (0.37) FYNEGFRMAOBKDM1ASYK
SCHEMBL7931935 0.89 FYN (0.39) FYNEGFRMAOBBACE1KDM1A
SCHEMBL7931938 0.89 FYN (0.39) FYNEGFRMAOBBACE1KDM1A
SCHEMBL6479157 0.83 FYN (0.40) FYNEGFRMAOBKDM1AKDM4E
SCHEMBL6472740 0.83 FYN (0.38) FYNEGFRMAOBBACE1KDM1A
SCHEMBL7929341 0.78 FYN (0.39) FYNMAOBBACE1KDM1AMAPK1
SCHEMBL7929345 0.78 FYN (0.39) FYNMAOBBACE1KDM1AMAPK1
SCHEMBL7922695 0.75 FYN (0.40) FYNMAOBKDM4EALDH1A1MAPT
SCHEMBL6477848 0.73 FYN (0.39) FYNEGFRMAOBKDM1AMAPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005037756-A2 NOVEL METHODS FOR THE PREPARATION OF 4-[4-(4-METHOXYMETHOXY-4'-METHYL-BIPHENYL-2-YL)-BUT-3-ENE-(E)-1-YNYL]-BENZOIC ACID GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2005-04-28 WO claimed
WO-2005037756-A2 NOVEL METHODS FOR THE PREPARATION OF 4-[4-(4-METHOXYMETHOXY-4'-METHYL-BIPHENYL-2-YL)-BUT-3-ENE-(E)-1-YNYL]-BENZOIC ACID GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2005-04-28 WO disclosed