SCHEMBL3445340

SCHEMBL3445340

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

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
SMPD1 P17405 3/20 0.46
TLR4 O00206 1/20 0.46
TLR2 O60603 1/20 0.46
ALOX5 P09917 1/20 0.42
PLA2G4B P0C869 2/20 0.41
GGPS1 O95749 1/20 0.41
CYSLTR2 Q9NS75 4/20 0.41
CYSLTR1 Q9Y271 3/20 0.40
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
LTA4H P09960 1/20 0.40

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
SCHEMBL4359017 0.99 TSHR (0.48) TSHRSMPD1TLR4TLR2ALOX5
SCHEMBL3444840 0.95 TLR4 (0.51) TSHRTLR4TLR2THRBLTA4H
SCHEMBL3444152 0.91 ADRB2 (0.44) TSHRTLR4TLR2
SCHEMBL2623211 0.90 TSHR (0.59) TSHRSMPD1TLR4TLR2ALOX5
SCHEMBL8402393 0.90 TSHR (0.59) TSHRSMPD1TLR4TLR2ALOX5
SCHEMBL7757960 0.90 TSHR (0.59) TSHRSMPD1TLR4TLR2ALOX5
SCHEMBL10071520 0.90 TSHR (0.59) TSHRSMPD1TLR4TLR2ALOX5
SCHEMBL3446672 0.90 TSHR (0.48) TSHRSMPD1TLR4TLR2ALOX5
Dimethylamine SCHEMBL4361280 0.89 TSHR (0.55) TSHRSMPD1TLR4TLR2PLA2G4B
SCHEMBL2623207 0.89 TSHR (0.57) TSHRSMPD1TLR4TLR2PLA2G4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7816475-B2 Aminoalkoxystyrene, process for preparation thereof, polymer thereof, process for producing the polymer and use thereof TOSOH CORPORATION (JP) 2010-10-19 US disclosed
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
US-20070213490-A1 Aminoalkoxystyrene, process for preparation thereof, polymer thereof, process for producing the polymer and use thereof TOSOH CORPORATION 2007-09-13 US 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