SCHEMBL9701723

SCHEMBL9701723

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

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.40
OR51E2 Q9H255 1/20 0.38
SLC22A6 Q4U2R8 1/20 0.33
THRB P10828 1/20 0.33
CPT2 P23786 1/20 0.33
ACLY P53396 1/20 0.33
PDE4A P27815 1/20 0.31
TP53 P04637 1/20 0.30
TSHR P16473 1/20 0.30
ACACB O00763 1/20 0.30
ACACA Q13085 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
SCHEMBL29288572 0.79 ALDH1A1 (0.40) ALDH1A1LMNAOR51E2SLC22A6THRB
SCHEMBL29285410 0.79 ALDH1A1 (0.40) ALDH1A1LMNAOR51E2SLC22A6THRB
SCHEMBL11005860 0.76 LMNA (0.42) ALDH1A1LMNAOR51E2SLC22A6THRB
SCHEMBL10585526 0.75 ALDH1A1 (0.39) ALDH1A1LMNAOR51E2SLC22A6THRB
SCHEMBL7149057 0.75 ALDH1A1 (0.39) ALDH1A1LMNAOR51E2SLC22A6THRB
SCHEMBL222489 0.75 TET2 (0.45) ALDH1A1LMNAOR51E2SLC22A6THRB
SCHEMBL7155871 0.75 ALDH1A1 (0.39) ALDH1A1LMNAOR51E2SLC22A6THRB
SCHEMBL724481 0.74 OR51E2 (0.43) OR51E2CPT2ACLY
SCHEMBL19457910 0.72 LMNA (0.38) ALDH1A1LMNAOR51E2SLC22A6THRB
SCHEMBL22445694 0.72 ALDH1A1 (0.38) ALDH1A1LMNAOR51E2SLC22A6THRB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5032223-A Analyzing decomposition products KAJAANI ELEKTRONIIKKA OY (FI) 1991-07-16 US claimed
WO-1992013992-A1 PROCEDURE FOR CONTROLLING OXYGEN-ALKALI BLEACHING KAJAANI ELEKTRONIIKKA OY (FI) 1992-08-20 WO disclosed
US-5032223-A Analyzing decomposition products KAJAANI ELEKTRONIIKKA OY (FI) 1991-07-16 US disclosed