SCHEMBL4868944

SCHEMBL4868944

C=C(OC(=O)CCl)C(=O)OCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.42
TSHR P16473 1/20 0.42
NPSR1 Q6W5P4 1/20 0.39
MGAM O43451 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
SOAT1 P35610 1/20 0.38
MAPT P10636 2/20 0.36
TRPA1 O75762 1/20 0.35
GLO1 Q04760 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
POLB P06746 1/20 0.35
HTT P42858 1/20 0.35
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CASP1 P29466 1/20 0.34
ALOX15 P16050 1/20 0.33
THRB P10828 1/20 0.33
EGLN1 Q9GZT9 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
SCHEMBL6247179 0.85 ALDH1A1 (0.47) ALDH1A1TSHRNPSR1MGAMGAA
SCHEMBL28363470 0.80 ALDH1A1 (0.56) ALDH1A1TSHRNPSR1MGAMGAA
SCHEMBL22689656 0.80 ALDH1A1 (0.42) ALDH1A1TSHRNPSR1MGAMGAA
SCHEMBL623935 0.78 MGAM (0.41) ALDH1A1TSHRNPSR1MGAMGAA
SCHEMBL3137530 0.77 ALDH1A1 (0.50) ALDH1A1TSHRNPSR1MGAMGAA
SCHEMBL29004516 0.76 THRB (0.46) ALDH1A1TSHRNPSR1MGAMGAA
SCHEMBL94679 0.75 ALDH1A1 (0.54) ALDH1A1TSHRNPSR1MGAMGAA
SCHEMBL28015204 0.75 THRB (0.48) ALDH1A1TSHRNPSR1MGAMGAA
SCHEMBL11502383 0.75 ALOX15 (0.52) ALDH1A1TSHRNPSR1MGAMGAA
SCHEMBL28013658 0.74 ALDH1A1 (0.41) ALDH1A1TSHRNPSR1MGAMGAA

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
US-7459495-B2 Acrylic rubber composition and crosslinked object ZEON CORPORATION (JP) 2008-12-02 US disclosed
US-20060167159-A1 Acrylic rubber composition and crosslinked object ZEON CORPORATION (JP) 2006-07-27 US disclosed