SCHEMBL9752489

SCHEMBL9752489

C=CCCC1(OC(=O)OC(C)(C)C)OO1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 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
SCHEMBL9752548 0.91 ALDH1A1 (0.36) HDAC6ALDH1A1LMNA
SCHEMBL9752492 0.83 HDAC6 (0.30) HDAC6
SCHEMBL8973464 0.75 HDAC6 (0.32) HDAC6
SCHEMBL3296089 0.74 SPHK1 (0.33) HDAC6
SCHEMBL9752448 0.72 HDAC6 (0.36) HDAC6
SCHEMBL1794629 0.70 ELANE (0.30)
SCHEMBL9420437 0.67
SCHEMBL372321 0.64 SMN1; SMN2 (0.40) HDAC6ALDH1A1
SCHEMBL1101944 0.64 LMNA (0.42) HDAC6ALDH1A1LMNA
SCHEMBL24845270 0.64 CTSK (0.33) ALDH1A1LMNA

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