SCHEMBL2378111

SCHEMBL2378111

O=C(O)C(Cl)(Cl)CCCCCCCC/C=C/c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.46
HDAC8 Q9BY41 5/20 0.46
HDAC3 O15379 4/20 0.46
HDAC4 P56524 4/20 0.46
HDAC7 Q8WUI4 4/20 0.46
HDAC2 Q92769 4/20 0.46
HDAC10 Q969S8 4/20 0.46
HDAC11 Q96DB2 4/20 0.46
HDAC6 Q9UBN7 4/20 0.46
HDAC9 Q9UKV0 4/20 0.46
HDAC5 Q9UQL6 4/20 0.46
PAM P19021 1/20 0.45
ACLY P53396 1/20 0.44
KMT2A Q03164 1/20 0.43
TBXAS1 P24557 1/20 0.43
PPARA Q07869 2/20 0.42
ALDH1A1 P00352 2/20 0.41
TNKS O95271 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41

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
SCHEMBL2378112 1.00 HDAC1 (0.46) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL28365595 0.80 PPARA (0.62) PAMACLYTBXAS1PPARAEGFR
SCHEMBL3795388 0.78 SIGMAR1 (0.50) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL9303907 0.76 TBXAS1 (0.68) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL849354 0.76 TBXAS1 (0.68) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL11315341 0.76 HDAC1 (0.57) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL849353 0.76 TBXAS1 (0.68) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL5176079 0.76 TBXAS1 (0.68) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL8093646 0.76 TBXAS1 (0.68) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL8093649 0.76 TBXAS1 (0.68) HDAC1HDAC8HDAC3HDAC4HDAC7

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-8026280-B2 For therapy of cancer, hematological disorders, e.g., hemoglobinopathies, and genetic related metabolic disorders, e.g., cystic fibrosis and adrenoleukodystrophy. ERRANT GENE THERAPEUTICS, LLC (US) 2011-09-27 US claimed
EP-0790824-B1 2,2-DICHLOROALKANE CARBOXYLIC ACIDS, PROCESS FOR PREPARING THE SAME, MEDICAMENT CONTAINING THE SAME, AND USE THEREOF FOR TREATING INSULIN RESISTANCE ROCHE DIAGNOSTICS GMBH (DE) 2002-02-06 EP disclosed
US-5968982-A TREATMENT OF DIABETES ROCHE DIAGNOSTICS GMBH (DE) 1999-10-19 US disclosed