SCHEMBL6550164

SCHEMBL6550164

CCCC(CCC)C(=O)NCC(C)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC7 Q8WUI4 2/20 0.54
HDAC8 Q9BY41 2/20 0.54
HDAC6 Q9UBN7 2/20 0.54
HDAC9 Q9UKV0 2/20 0.54
HDAC5 Q9UQL6 2/20 0.54
HDAC1 Q13547 3/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
CHRM1 P11229 1/20 0.43
AKR1A1 P14550 1/20 0.43
CHRM3 P20309 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
ADRA1A P35348 1/20 0.43
HRH1 P35367 1/20 0.43
DRD3 P35462 1/20 0.43
SLC6A3 Q01959 1/20 0.43

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
SCHEMBL2880149 0.89 HDAC7 (0.42) HDAC7HDAC8HDAC6HDAC9HDAC5
SCHEMBL22304191 0.85 CA2 (0.46) CA1CA2
SCHEMBL2952253 0.85 CA2 (0.46) CA1CA2
SCHEMBL2954534 0.85 CA2 (0.46) CA1CA2
SCHEMBL24378364 0.83 MAPK1 (0.47) HDAC7HDAC8HDAC6HDAC9HDAC5
SCHEMBL2874052 0.82 ALDH1A1 (0.35) HDAC7HDAC8HDAC6HDAC9HDAC5
SCHEMBL12215228 0.80 CA1 (0.44) HDAC7HDAC8HDAC6HDAC9HDAC5
SCHEMBL29205058 0.79 CA2 (0.41) CA2
SCHEMBL29205057 0.79 CA2 (0.41) CA2
SCHEMBL29205059 0.79 CA2 (0.41) CA2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1176138-B1 Active derivatives of valproic acid for the treatment of neurological and psychotic disorders and a method for their preparation YISSUM RES DEV CO (IL) 2004-12-01 EP claimed
EP-1176138-B1 Active derivatives of valproic acid for the treatment of neurological and psychotic disorders and a method for their preparation YISSUM RES DEV CO (IL) 2004-12-01 EP disclosed
EP-1176138-A1 Active derivatives of valproic acid for the treatment of neurological and psychotic disorders and a method for their preparation YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2002-01-30 EP disclosed
US-6323365-B1 FOR THERAPY OF CONVULSIONS AND EPILEPSY, AND FOR THE TREATMENT OF PAIN AND MIGRAINE, BIPOLAR DISORDER YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2001-11-27 US disclosed