SCHEMBL28782879

SCHEMBL28782879

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

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.41
TSHR P16473 9/20 0.37
HPGD P15428 1/20 0.35
TP53 P04637 4/20 0.34
HIF1A Q16665 3/20 0.34
CYP3A4 P08684 2/20 0.34
HSD17B10 Q99714 2/20 0.34
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
LMNA P02545 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
SCHEMBL27657801 0.97 ALDH1A1 (0.43) ALDH1A1TSHRHPGDTP53HIF1A
SCHEMBL7560860 0.95 ALDH1A1 (0.41) ALDH1A1TSHRHPGDTP53HIF1A
SCHEMBL7557827 0.95 ALDH1A1 (0.41) ALDH1A1TSHRHPGDTP53HIF1A
SCHEMBL7557966 0.95 ALDH1A1 (0.41) ALDH1A1TSHRHPGDTP53HIF1A
SCHEMBL21985976 0.81 ALDH1A1 (0.38) ALDH1A1TSHRHPGDTP53HIF1A
SCHEMBL5144521 0.81 TSHR (0.42) ALDH1A1TSHRHPGDTP53HIF1A
SCHEMBL27778816 0.80 ALDH1A1 (0.46) ALDH1A1TSHRHPGDTP53HIF1A
SCHEMBL65009 0.80 ALDH1A1 (0.46) ALDH1A1TSHRHPGDTP53HIF1A
SCHEMBL27402855 0.79
SCHEMBL20954076 0.78 ALDH1A1 (0.44) ALDH1A1TSHRHPGDTP53HIF1A

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