SCHEMBL9364144

SCHEMBL9364144

CCOCCC(=CCCOC)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 4/20 0.37
GRIK1 P39086 3/20 0.37
GRIK2 Q13002 2/20 0.37
ALDH1A1 P00352 3/20 0.33
TSHR P16473 1/20 0.33
THRB P10828 1/20 0.30

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
SCHEMBL9364137 0.93 APEX1 (0.40) APEX1GRIK1GRIK2ALDH1A1TSHR
SCHEMBL9364132 0.93 APEX1 (0.40) APEX1GRIK1GRIK2ALDH1A1TSHR
SCHEMBL4278693 0.82 GRIK1 (0.43) APEX1GRIK1GRIK2ALDH1A1TSHR
SCHEMBL28066899 0.80 EP300 (0.51) APEX1GRIK1
SCHEMBL4278699 0.78 GRIK1 (0.41) GRIK1GRIK2ALDH1A1TSHRTHRB
SCHEMBL28066860 0.75 EP300 (0.53) APEX1GRIK1
SCHEMBL9446544 0.75 EP300 (0.53) APEX1GRIK1
SCHEMBL28950882 0.74 CPB1 (0.49) APEX1GRIK1GRIK2ALDH1A1TSHR
SCHEMBL10386720 0.74 TSHR (0.43) APEX1ALDH1A1TSHRTHRB
SCHEMBL9008292 0.74 TSHR (0.43) APEX1ALDH1A1TSHRTHRB

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
EP-0455585-B1 Unsaturated urea polysiloxanes CIBA GEIGY AG (CH) 1994-03-23 EP claimed
EP-0455585-A1 Unsaturated urea polysiloxanes CIBA-GEIGY AG (CH) 1991-11-06 EP claimed
EP-0455585-B1 Unsaturated urea polysiloxanes CIBA GEIGY AG (CH) 1994-03-23 EP disclosed
EP-0455585-A1 Unsaturated urea polysiloxanes CIBA-GEIGY AG (CH) 1991-11-06 EP disclosed