SCHEMBL8053751

SCHEMBL8053751

CCCCCCCCCCCCCCCCOC#CCOCCCCCCCCCCCCCCCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.42
THRB P10828 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPT P10636 1/20 0.42
CES2 O00748 2/20 0.39
ALDH1A1 P00352 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
USP2 O75604 1/20 0.37
CES1 P23141 1/20 0.36
PRKD3 O94806 1/20 0.36
PRKCG P05129 1/20 0.36
PRKCB P05771 1/20 0.36
PRKCA P17252 1/20 0.36
PRKCH P24723 1/20 0.36
PRKCI P41743 1/20 0.36
PRKCE Q02156 1/20 0.36
PRKCQ Q04759 1/20 0.36
PRKCZ Q05513 1/20 0.36
PRKCD Q05655 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
SCHEMBL8975543 0.85 TSHR (0.33) TSHR
SCHEMBL20658144 0.84 THRB (0.50) HTTTHRBMEN1KMT2AMAPT
SCHEMBL8975929 0.81 TSHR (0.33) TSHR
SCHEMBL20658161 0.79 THRB (0.47) HTTTHRBMEN1KMT2AMAPT
SCHEMBL11472202 0.78 PTPN7 (0.41) HTTTHRBMEN1KMT2AMAPT
SCHEMBL11475049 0.78 PTPN7 (0.41) HTTTHRBMEN1KMT2AMAPT
SCHEMBL3032195 0.78 PTPN7 (0.41) HTTTHRBMEN1KMT2AMAPT
SCHEMBL29073225 0.77 PTPN7 (0.44) HTTTHRBMEN1KMT2AMAPT
SCHEMBL3015199 0.76 TSHR (0.35) HTTTHRBMEN1KMT2AMAPT
SCHEMBL30929762 0.75 HTT (0.52) HTTTHRBMEN1KMT2AMAPT

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-0686046-B1 CONTRAST AGENTS NYCOMED IMAGING AS (NO) 2000-05-24 EP claimed