SCHEMBL8475384

SCHEMBL8475384

[CH2]C(Cl)(CCC)OC(C)=O

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
ALDH1A1 P00352 2/20 0.32
LMNA P02545 2/20 0.32
HSD17B10 Q99714 2/20 0.32
FDPS P14324 1/20 0.31

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
SCHEMBL11223353 0.77 GAA (0.43) GAAALDH1A1LMNAHSD17B10FDPS
SCHEMBL21542085 0.76 GAA (0.46) GAAALDH1A1LMNAHSD17B10
SCHEMBL27333779 0.72 ALDH1A1 (0.40) GAAALDH1A1LMNAHSD17B10FDPS
SCHEMBL21542093 0.72 GAA (0.43) GAAALDH1A1LMNAHSD17B10FDPS
SCHEMBL28349840 0.72 GAA (0.46) GAAALDH1A1LMNAHSD17B10FDPS
SCHEMBL12776902 0.72 GAA (0.46) GAAALDH1A1LMNAHSD17B10FDPS
SCHEMBL11657611 0.71 TSHR (0.37) GAAALDH1A1
SCHEMBL12776904 0.70 GAA (0.50) GAAALDH1A1LMNAHSD17B10FDPS
SCHEMBL1579162 0.70 GAA (0.50) GAAALDH1A1LMNAHSD17B10FDPS
SCHEMBL11659516 0.70 TSHR (0.38) GAAALDH1A1

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-6004954-A TREATING GRAFT-VERSUS-HOST DISEASE AND AUTOIMMUNE DISEASES; ANTIALLERGENS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-12-21 US disclosed