SCHEMBL8606199

SCHEMBL8606199

O=C(O)CC(CC(=O)O)(OC(=O)c1cc(C(=O)O)c(C(=O)O)cc1C(=O)O)C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 1/20 0.32
ALOX15 P16050 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL793900 0.83 ALDH1A1 (0.51) ALDH1A1CYP2C19HIF1AALOX15HSD17B10
SCHEMBL793901 0.80 CYP2C19 (0.44) ALDH1A1CYP2C19HIF1AALOX15
SCHEMBL2712904 0.75 TDP1 (0.53) ALDH1A1CYP2C19HIF1AALOX15HSD17B10
SCHEMBL3485285 0.73 TDP1 (0.51) ALDH1A1CYP2C19HIF1AALOX15HSD17B10
SCHEMBL6663875 0.73 L3MBTL1 (0.44) CYP2C19HIF1A
SCHEMBL27625176 0.73 TDP1 (0.51) ALDH1A1CYP2C19HIF1AALOX15HSD17B10
SCHEMBL2071064 0.73 TDP1 (0.47) ALDH1A1CYP2C19HIF1AALOX15HSD17B10
SCHEMBL7133452 0.72 SERPINE1 (0.49) ALDH1A1HSD17B10
SCHEMBL1289443 0.71 TDP1 (0.46) ALDH1A1CYP2C19HIF1AHSD17B10
SCHEMBL28075408 0.71 TDP1 (0.46) ALDH1A1CYP2C19HIF1AHSD17B10

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-5721202-A Perfumes for laundry and cleaning composition THE PROCTER & GAMBLE COMPANY (US) 1998-02-24 US claimed