SCHEMBL9224155

SCHEMBL9224155

C=C(C)C(=O)OCCC=COC(N)=O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.43
TSHR P16473 3/20 0.42
ALDH1A1 P00352 3/20 0.34
TDP1 Q9NUW8 2/20 0.33
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31

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
SCHEMBL15300319 0.88 THRB (0.47) THRBTSHRALDH1A1TDP1POLB
SCHEMBL9062495 0.85 THRB (0.44) THRBTSHRALDH1A1TDP1POLB
SCHEMBL5981322 0.82 THRB (0.48) THRBTSHRALDH1A1TDP1POLB
SCHEMBL810800 0.77 THRB (0.47) THRBTSHRALDH1A1TDP1POLB
SCHEMBL673335 0.77 THRB (0.50) THRBTSHRALDH1A1TDP1POLB
SCHEMBL31462126 0.75 TSHR (0.57) THRBTSHRALDH1A1TDP1POLB
SCHEMBL28405795 0.75 TSHR (0.44) THRBTSHRALDH1A1TDP1POLB
Urea SCHEMBL7101033 0.75 THRB (0.48) THRBTSHRALDH1A1TDP1POLB
SCHEMBL9322704 0.75 THRB (0.53) THRBTSHRALDH1A1TDP1POLB
SCHEMBL9322711 0.75 THRB (0.53) THRBTSHRALDH1A1TDP1POLB

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-5449729-A Vinyl monomer and crosslinking agent and acrylates with styrene BAUSCH & LOMB INCORPORATED (US) 1995-09-12 US disclosed