SCHEMBL13799345

SCHEMBL13799345

CC(C)(COC(=O)CCCCC(=O)OCC(C)(C)COC(=O)CCCCC(=O)OCC(C)(C)COC(=O)C(C#N)=C(c1ccccc1)c1ccccc1)COC(=O)CCCCC(=O)OCC(C)(C)COC(=O)C(C#N)=C(c1ccccc1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
MAPK1 P28482 3/20 0.51
LMNA P02545 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.35
MAPT P10636 2/20 0.35
XBP1 P17861 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TBXAS1 P24557 3/20 0.33
HIF1A Q16665 1/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
TDP1 Q9NUW8 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
POLB P06746 1/20 0.32
HTR1A P08908 1/20 0.32
CYP2D6 P10635 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
SCHEMBL25208359 1.00 ALDH1A1 (0.51) ALDH1A1MAPK1LMNASMN1; SMN2MAPT
SCHEMBL12813009 0.91 ALDH1A1 (0.55) ALDH1A1MAPK1LMNASMN1; SMN2MAPT
SCHEMBL12758730 0.91 ALDH1A1 (0.44) ALDH1A1MAPK1LMNASMN1; SMN2MAPT
SCHEMBL13236531 0.88 ALDH1A1 (0.48) ALDH1A1MAPK1LMNAMAPT
SCHEMBL13236537 0.88 ALDH1A1 (0.48) ALDH1A1MAPK1LMNAMAPT
SCHEMBL14484118 0.88 ALDH1A1 (0.48) ALDH1A1MAPK1LMNASMN1; SMN2MAPT
SCHEMBL13294367 0.86 ALDH1A1 (0.51) ALDH1A1MAPK1LMNASMN1; SMN2MAPT
SCHEMBL12758732 0.85 ALDH1A1 (0.39) ALDH1A1MAPK1LMNAMAPTTBXAS1
SCHEMBL12571045 0.85 ALDH1A1 (0.48) ALDH1A1MAPK1LMNASMN1; SMN2MAPT
SCHEMBL13264743 0.85 ALDH1A1 (0.47) ALDH1A1MAPK1LMNAMAPTRAB9A

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
US-7544350-B2 Method of decreasing the UV light degradation of polymers HALLSTAR INNOVATIONS CORP. (US) 2009-06-09 US disclosed