SCHEMBL2913691

SCHEMBL2913691

CC(C=O)CC(O)C(O)CO

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.40
TDP1 Q9NUW8 2/20 0.35
LMNA P02545 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PAX8 Q06710 1/20 0.31
TSHR P16473 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
SCHEMBL14359946 0.80 AKR1B1 (0.32) AKR1B1
SCHEMBL27263515 0.78
SCHEMBL5319919 0.75 AKR1B1 (0.57) AKR1B1TDP1LMNAL3MBTL1
SCHEMBL319227 0.75 AKR1B1 (0.57) AKR1B1TDP1LMNAL3MBTL1
SCHEMBL1747065 0.75 AKR1B1 (0.57) AKR1B1TDP1LMNAL3MBTL1
SCHEMBL25916469 0.75 AKR1B1 (0.57) AKR1B1TDP1LMNAL3MBTL1
SCHEMBL16600332 0.75 AKR1B1 (0.57) AKR1B1TDP1LMNAL3MBTL1
SCHEMBL447075 0.75 AKR1B1 (0.57) AKR1B1TDP1LMNAL3MBTL1
SCHEMBL1658629 0.75 AKR1B1 (0.57) AKR1B1TDP1LMNAL3MBTL1
SCHEMBL4058988 0.74

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
EP-2050784-B1 Use of glycerol acetals COGNIS IP MAN GMBH (DE) 2010-08-25 EP claimed