SCHEMBL4543255

SCHEMBL4543255

C=Cc1cccc(OCCCN(CCC)C(C)C)c1.C=Cc1cccc(OCCCN(CCC)CCCC)c1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
TLR4 O00206 1/20 0.40
TLR2 O60603 1/20 0.40
BCHE P06276 8/20 0.40
ACHE P22303 6/20 0.40
KDM4E B2RXH2 1/20 0.40
TSHR P16473 1/20 0.40
FDPS P14324 2/20 0.37

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
SCHEMBL3444178 0.93 TLR4 (0.45) MAOAMAOBTLR4TLR2BCHE
SCHEMBL3445058 0.93 TLR4 (0.42) MAOAMAOBTLR4TLR2BCHE
SCHEMBL3445731 0.91 TLR4 (0.47) MAOAMAOBTLR4TLR2BCHE
SCHEMBL3445705 0.88 TLR4 (0.49) MAOAMAOBTLR4TLR2BCHE
SCHEMBL3445719 0.88 BCHE (0.48) MAOAMAOBTLR4TLR2BCHE
SCHEMBL3446644 0.85 TLR4 (0.41) MAOAMAOBTLR4TLR2BCHE
SCHEMBL3445153 0.84 BCHE (0.49) MAOAMAOBTLR4TLR2BCHE
SCHEMBL3445860 0.84 MAOA (0.53) MAOAMAOBTLR4TLR2BCHE
SCHEMBL3446155 0.84 KDM4E (0.43) MAOAMAOBTLR4TLR2BCHE
SCHEMBL3444484 0.83 BCHE (0.50) MAOAMAOBTLR4TLR2BCHE

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
EP-1829857-B1 Aminoalkoxystyrene, process for preparation thereof, polymer thereof, process for producing the polymer and use thereof TOSOH CORP (JP) 2009-11-04 EP disclosed
EP-1829857-A1 Aminoalkoxystyrene, process for preparation thereof, polymer thereof, process for producing the polymer and use thereof Tosoh Corporation (JP) 2007-09-05 EP disclosed