SCHEMBL6910852

SCHEMBL6910852

C=C(OP(=O)(OC(=C)C(=O)OCC)OC(=C)C(=O)OCC)C(=O)OCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
TSHR P16473 2/20 0.45
MAPT P10636 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GLO1 Q04760 1/20 0.38
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ALOX15 P16050 1/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
SOAT1 P35610 1/20 0.36
THRB P10828 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
CYP2D6 P10635 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TRPA1 O75762 1/20 0.33
CASP1 P29466 1/20 0.33
ATM Q13315 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
SCHEMBL8092404 0.90 ALDH1A1 (0.46) ALDH1A1TSHRMAPTNPSR1GLO1
SCHEMBL4671032 0.85 PEPD (0.50) ALDH1A1TSHRMAPTNPSR1GLO1
SCHEMBL94679 0.79 ALDH1A1 (0.54) ALDH1A1TSHRMAPTNPSR1GLO1
Hydrochloric Acid SCHEMBL27667582 0.77 ALDH1A1 (0.52) ALDH1A1TSHRMAPTNPSR1GLO1
SCHEMBL10321827 0.75 TSHR (0.37) ALDH1A1TSHRLMNAGAATHRB
SCHEMBL197959 0.75
SCHEMBL19958913 0.75
SCHEMBL15452892 0.73
SCHEMBL27712345 0.73 ALDH1A1 (0.48) ALDH1A1TSHRMAPTNPSR1GLO1
SCHEMBL1170739 0.72 ALDH1A1 (0.44) ALDH1A1TSHRMAPTNPSR1GLO1

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
WO-2004087777-A2 DEGRADABLE POLYMERS CARNEGIE MELLON UNIVERSITY (US) 2004-10-14 WO disclosed