SCHEMBL10448779

SCHEMBL10448779

O=C(O)CC(O)C1=CCCCC1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
FFAR1 O14842 1/20 0.35
SLC22A6 Q4U2R8 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
CTSK P43235 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
TP53 P04637 1/20 0.32
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
ACMSD Q8TDX5 1/20 0.31

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
SCHEMBL26820449 0.80 TSHR (0.45) IDO1NPSR1SMN1; SMN2ALDH1A1HPGD
SCHEMBL11576802 0.80 GRIK1 (0.35) HDAC4HDAC2HDAC8HDAC6FFAR1
SCHEMBL10435436 0.80 TBXAS1 (0.38) HDAC4HDAC2HDAC8HDAC6FFAR1
SCHEMBL6755416 0.79 TBXAS1 (0.37) HDAC4HDAC2HDAC8HDAC6FFAR1
SCHEMBL6755419 0.79 TBXAS1 (0.37) HDAC4HDAC2HDAC8HDAC6FFAR1
SCHEMBL6755415 0.79 TBXAS1 (0.37) HDAC4HDAC2HDAC8HDAC6FFAR1
SCHEMBL6344946 0.76 IDO1 (0.38) IDO1HDAC4HDAC2HDAC8HDAC6
SCHEMBL19020347 0.76 IDO1 (0.38) IDO1HDAC4HDAC2HDAC8HDAC6
SCHEMBL10171591 0.75 HDAC4 (0.38) HDAC4HDAC2HDAC8HDAC6FFAR1
SCHEMBL4109918 0.75 IDO1 (0.37) IDO1HDAC4HDAC2HDAC8HDAC6

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-0353053-A2 Catalytic process for producing optically active alpha-hydroxycarboxylates Takasago International Corporation (JP) 1990-01-31 EP disclosed