SCHEMBL5433701

SCHEMBL5433701

CCCCC=CC=CO[Si](OC=CC=CCCCC)(OC=CC=CCCCC)OC=CC=CCCCC

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
ALDH1A1 P00352 2/20 0.43
FASN P49327 1/20 0.38
FAAH O00519 4/20 0.33
KDM4E B2RXH2 1/20 0.33
LPAR2 Q9HBW0 2/20 0.32
LPAR3 Q9UBY5 2/20 0.32
LPAR1 Q92633 1/20 0.32
F7 P08709 1/20 0.32
F3 P13726 1/20 0.32
TRPV1 Q8NER1 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
SCHEMBL5433558 0.84 TSHR (0.42) TSHRALDH1A1FASNFAAHKDM4E
SCHEMBL21044843 0.83 TSHR (0.41) TSHRALDH1A1FASNFAAHKDM4E
SCHEMBL21044842 0.83 TSHR (0.41) TSHRALDH1A1FASNFAAHKDM4E
SCHEMBL5439418 0.81 TSHR (0.39) TSHRALDH1A1FASNFAAHKDM4E
SCHEMBL26905336 0.80 TSHR (0.59) TSHRALDH1A1FASNFAAHKDM4E
SCHEMBL2274578 0.80 TSHR (0.59) TSHRALDH1A1FASNFAAHKDM4E
SCHEMBL2274584 0.80 TSHR (0.59) TSHRALDH1A1FASNFAAHKDM4E
SCHEMBL1180790 0.78 TSHR (0.48) TSHRALDH1A1FASNFAAHKDM4E
SCHEMBL875892 0.78 TSHR (0.48) TSHRALDH1A1FASNFAAHKDM4E
SCHEMBL4395869 0.76 TSHR (0.46) TSHRALDH1A1FASNFAAHKDM4E

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-20070004825-A1 Reactive diluents THE UNIVERSITY OF SOUTHERN MISSISSIPPI (US) 2007-01-04 US disclosed