SCHEMBL9752548

SCHEMBL9752548

C=CCCCC1(OC(=O)OC(C)(C)C)OO1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HDAC6 Q9UBN7 2/20 0.31
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 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
SCHEMBL9752489 0.91 HDAC6 (0.32) ALDH1A1LMNAHDAC6
SCHEMBL9752492 0.81 HDAC6 (0.30) HDAC6
SCHEMBL3296089 0.78 SPHK1 (0.33) HDAC6HDAC1HDAC2
SCHEMBL8973464 0.73 HDAC6 (0.32) HDAC6HDAC1HDAC2
SCHEMBL9752448 0.70 HDAC6 (0.36) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL1794629 0.68 ELANE (0.30)
SCHEMBL637189 0.66 ALDH1A1 (0.53) ALDH1A1LMNAHDAC6HDAC3HDAC1
SCHEMBL14984822 0.65 ALDH1A1 (0.61) ALDH1A1LMNAHDAC6HDAC3HDAC1
SCHEMBL9420437 0.65
SCHEMBL8951105 0.64 ALDH1A1 (0.65) ALDH1A1LMNAHDAC6HDAC3HDAC1

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
WO-1991000300-A1 (CO)POLYMER MODIFICATION EMPLOYING UNSATURATED t-ALKYL PEROXY ALKENES AKZO N.V. (NL) 1991-01-10 WO disclosed