SCHEMBL7528585

SCHEMBL7528585

C=C(C)C(=O)OC(CN)CN

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
ALDH1A1 P00352 2/20 0.42
THRB P10828 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL11565365 0.83 TSHR (0.43) TSHRALDH1A1THRBTDP1
SCHEMBL28815112 0.83 TSHR (0.35) TSHRALDH1A1THRB
SCHEMBL2597658 0.82 TSHR (0.43) TSHRALDH1A1THRBTDP1
SCHEMBL6533659 0.80 TSHR (0.42) TSHRALDH1A1THRBTDP1
SCHEMBL31435672 0.80 TSHR (0.52) TSHRALDH1A1THRBTDP1
SCHEMBL18288496 0.80 TSHR (0.47) TSHRALDH1A1THRBTDP1
Methylamine SCHEMBL27627991 0.80 TSHR (0.42) TSHRALDH1A1THRBTDP1
SCHEMBL29242432 0.80 GABRR1 (0.32)
SCHEMBL35385 0.79 TSHR (0.45) TSHRALDH1A1THRBTDP1
SCHEMBL440616 0.79 TSHR (0.45) TSHRALDH1A1THRBTDP1

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
EP-1179552-A1 New water soluble (co)polymers with quaternary amino groups, their preparation and their use Atofina (FR) 2002-02-13 EP disclosed