SCHEMBL4359017

SCHEMBL4359017

C=Cc1cccc(OCCCCC)c1.CC(C)NC(C)C

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
TLR4 O00206 1/20 0.47
TLR2 O60603 1/20 0.47
SMPD1 P17405 3/20 0.44
LTA4H P09960 1/20 0.41
KMT2A Q03164 1/20 0.41
ALOX5 P09917 1/20 0.40
NR1H4 Q96RI1 1/20 0.40
GPBAR1 Q8TDU6 1/20 0.40
PLA2G4B P0C869 1/20 0.40
CYSLTR2 Q9NS75 1/20 0.39

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
SCHEMBL3445340 0.99 TSHR (0.50) TSHRTLR4TLR2SMPD1LTA4H
SCHEMBL3444840 0.96 TLR4 (0.51) TSHRTLR4TLR2LTA4HKMT2A
SCHEMBL3444152 0.92 ADRB2 (0.44) TSHRTLR4TLR2KMT2ANR1H4
SCHEMBL2623207 0.90 TSHR (0.57) TSHRTLR4TLR2SMPD1LTA4H
SCHEMBL3446078 0.90 TSHR (0.46) TSHRTLR4TLR2SMPD1LTA4H
Dimethylamine SCHEMBL3445667 0.89 TSHR (0.53) TSHRTLR4TLR2SMPD1LTA4H
SCHEMBL10071520 0.89 TSHR (0.59) TSHRTLR4TLR2SMPD1LTA4H
SCHEMBL7757960 0.89 TSHR (0.59) TSHRTLR4TLR2SMPD1LTA4H
SCHEMBL8402393 0.89 TSHR (0.59) TSHRTLR4TLR2SMPD1LTA4H
SCHEMBL2623211 0.89 TSHR (0.59) TSHRTLR4TLR2SMPD1LTA4H

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