SCHEMBL27348448

SCHEMBL27348448

C=CC(=O)C(O)C(O)COCC(O)C(O)C(=O)C=C

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.34
PGD P52209 2/20 0.32
ALDH1A1 P00352 2/20 0.32
TP53 P04637 2/20 0.32
HIF1A Q16665 2/20 0.32
HSD17B10 Q99714 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
SCHEMBL11015153 0.88 TSHR (0.36) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL27555894 0.79 TSHR (0.31) TSHR
SCHEMBL27720713 0.79 SPHK1 (0.50) TSHR
SCHEMBL7748377 0.78 TSHR (0.38) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL4373395 0.76 PDE4A (0.39) TSHR
SCHEMBL21056351 0.75 TSHR (0.52) TSHRALDH1A1
SCHEMBL28066560 0.74 TSHR (0.39) TSHRALDH1A1
SCHEMBL9747332 0.74 LMNA (0.41) TSHRALDH1A1
SCHEMBL7749159 0.74 PGD (0.31) PGD
SCHEMBL2783948 0.73 ALDH1A1 (0.37) TSHRALDH1A1

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
CN-1052558-A Can carry out the photopolymerization composition that can produce metallic ion of water treatment in the photolysis mode DU PONT (US) 1991-06-26 CN disclosed