SCHEMBL2935848

SCHEMBL2935848

O=[C]C(=O)C1=C(C2=CCCCCC2)CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACMSD Q8TDX5 1/20 0.35
FFAR4 Q5NUL3 1/20 0.34
HDAC2 Q92769 3/20 0.33
HDAC4 P56524 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC1 Q13547 2/20 0.31
TYMP P19971 1/20 0.30
CTSK P43235 1/20 0.30
HDAC3 O15379 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
SCHEMBL8422501 0.82 ACMSD (0.45) ACMSDFFAR4HDAC2HDAC4HDAC8
SCHEMBL5826246 0.82 ACMSD (0.45) ACMSDFFAR4HDAC2HDAC4HDAC8
Hydrochloric Acid SCHEMBL11054643 0.81 ACMSD (0.44) ACMSDFFAR4HDAC2HDAC4HDAC8
SCHEMBL10623280 0.79 ACMSD (0.36) ACMSDFFAR4HDAC2HDAC4HDAC8
SCHEMBL8419436 0.78 SLC6A3 (0.39) ACMSDFFAR4HDAC2HDAC4HDAC8
SCHEMBL11763744 0.72 FFAR4 (0.31) ACMSDFFAR4
Bicarbonate SCHEMBL2907611 0.69 ACMSD (0.49) ACMSDFFAR4HDAC2HDAC4HDAC8
Bicarbonate SCHEMBL10441915 0.69 ACMSD (0.49) ACMSDFFAR4HDAC2HDAC4HDAC8
Bicarbonate SCHEMBL10962051 0.69 ACMSD (0.49) ACMSDFFAR4HDAC2HDAC4HDAC8
SCHEMBL11420792 0.69 ACMSD (0.38) ACMSDFFAR4

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
EP-2105433-B1 Modular scaffold for the design of specific molecules for the use as peptidomimetics and inhibitors of protein interaction UNIV DRESDEN TECH (DE) 2010-09-22 EP disclosed
EP-2105433-A1 Modular scaffold for the design of specific molecules for the use as peptidomimetics and inhibitors of protein interaction Technische Universität Dresden (DE) 2009-09-30 EP disclosed
EP-0719824-B1 Low-dust granules of plastic additives CIBA SC HOLDING AG (CH) 2001-06-27 EP disclosed