SCHEMBL4701267

SCHEMBL4701267

[CH2]CNC(=C)C(=O)OCC

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
TSHR P16473 1/20 0.45
EGLN1 Q9GZT9 1/20 0.44
GAA P10253 3/20 0.41
MGAM O43451 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
MAPT P10636 3/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GLO1 Q04760 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
CYP2D6 P10635 1/20 0.37
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ALOX15 P16050 1/20 0.36
SOAT1 P35610 1/20 0.36
THRB P10828 1/20 0.35
HTT P42858 1/20 0.33
TRPA1 O75762 1/20 0.33

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
SCHEMBL8065115 0.84 ALDH1A1 (0.47) ALDH1A1TSHREGLN1GAAMGAM
SCHEMBL28773290 0.81 ALDH1A1 (0.44) ALDH1A1TSHREGLN1GAAMGAM
SCHEMBL11293198 0.79 EGLN1 (0.66) ALDH1A1TSHREGLN1GAAMGAM
SCHEMBL9058756 0.78 ALDH1A1 (0.44) ALDH1A1TSHREGLN1GAAMGAM
SCHEMBL28234480 0.78 ALDH1A1 (0.41) ALDH1A1TSHREGLN1GAAMGAM
SCHEMBL28428734 0.78 CYP2D6 (0.48) ALDH1A1TSHREGLN1GAAMGAM
SCHEMBL2551376 0.78 ACHE (0.50) ALDH1A1TSHREGLN1
SCHEMBL515573 0.77
SCHEMBL28796395 0.76 ALDH1A1 (0.40) ALDH1A1TSHREGLN1GAAMGAM
SCHEMBL361318 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1966230-A1 MASSIVELY PARALLEL SYNTHESIS OF BIOPOLYMERIC ARRAYS Intel Corporation (US) 2008-09-10 EP disclosed
WO-2007078868-A1 MASSIVELY PARALLEL SYNTHESIS OF BIOPOLYMERIC ARRAYS INTEL CORPORATION (US) 2007-07-12 WO disclosed