SCHEMBL28782882

SCHEMBL28782882

C=CC(=O)CC(=O)C(=O)O.[AlH3]

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HAO1 Q9UJM8 3/20 0.42
ALDH1A1 P00352 4/20 0.42
TSHR P16473 3/20 0.42
MAPK1 P28482 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
LMNA P02545 1/20 0.38
OR51E2 Q9H255 2/20 0.35
ERCC5 P28715 2/20 0.33
FEN1 P39748 2/20 0.33
PTPN1 P18031 1/20 0.33
SLC13A3 Q8WWT9 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
FGFR4 P22455 1/20 0.30
ABCC4 O15439 1/20 0.30
MAPT P10636 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
SCHEMBL4732953 0.97 ALDH1A1 (0.43) HAO1ALDH1A1TSHRMAPK1TDP1
SCHEMBL290398 0.80
SCHEMBL415833 0.75
SCHEMBL10071355 0.74 TSHR (0.47) ALDH1A1TSHRMAPK1TDP1ALOX15
SCHEMBL1127575 0.74 ALOX15 (0.62) ALDH1A1TSHRMAPK1TDP1ALOX15
SCHEMBL28089517 0.72 HAO1 (0.45) HAO1TSHRMAPK1OR51E2ERCC5
SCHEMBL23361428 0.70 TSHR (0.50) HAO1ALDH1A1TSHRMAPK1TDP1
SCHEMBL28834717 0.70
Hydroxyamine SCHEMBL28262455 0.70 ALOX15 (0.46) ALDH1A1TSHRMAPK1TDP1ALOX15
SCHEMBL1332598 0.70 TSHR (0.50) HAO1ALDH1A1TSHRMAPK1TDP1

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-101687422-A Multi-layered porous ink-jet recording media HEWLETT PACKARD DEVELOPMENT CO 2010-03-31 CN disclosed