SCHEMBL4863087

SCHEMBL4863087

C=CC(=O)OCC1=NCCO1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.36
ALDH1A1 P00352 4/20 0.36
TP53 P04637 3/20 0.36
HIF1A Q16665 3/20 0.36
CYP3A4 P08684 2/20 0.36
HSD17B10 Q99714 1/20 0.36
EGFR P00533 1/20 0.35
KDR P35968 1/20 0.35
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HPGD P15428 1/20 0.33
THRB P10828 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
SCHEMBL6855773 0.84 TSHR (0.46) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL23576605 0.80 TSHR (0.50) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL23576318 0.73
SCHEMBL24010024 0.72 MGAM (0.35)
SCHEMBL13863547 0.71 TSHR (0.47) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL23576316 0.70 ALDH1A1 (0.33) ALDH1A1
SCHEMBL965609 0.70 THRB (0.31) THRB
SCHEMBL24006697 0.70 GLA (0.31)
SCHEMBL15959540 0.69 ADRA2A (0.31)
SCHEMBL22337163 0.67 TSHR (0.38) TSHRALDH1A1TP53HIF1ACYP3A4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7320854-B2 Mixture of oxide particles, polymerizable compound,radiation sensitive decomposer and releasing agent JSR CORPORATION (JP) 2008-01-22 US disclosed
EP-1494072-A2 Radiation sensitive refractive index changing composition, pattern forming method and optical material JSR Corporation (JP) 2005-01-05 EP disclosed
US-20040265737-A1 Radiation sensitive refractive index changing composition, pattern forming method and optical material JSR CORPORATION (JP) 2004-12-30 US disclosed