SCHEMBL4498012

SCHEMBL4498012

CC(CCCC(=O)O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 2/20 0.49
HDAC3 O15379 1/20 0.49
MAPK1 P28482 1/20 0.49
ADRA1A P35348 1/20 0.49
HDAC4 P56524 1/20 0.49
SLC6A3 Q01959 1/20 0.49
HDAC1 Q13547 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49
HTT P42858 1/20 0.48
MAPT P10636 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
FOLH1 Q04609 2/20 0.46
SLC1A3 P43003 2/20 0.44

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
SCHEMBL2295446 0.90 FOLH1 (0.51) HDAC2HDAC3MAPK1ADRA1AHDAC4
SCHEMBL30169132 0.89 SLC1A3 (0.46) HDAC2SLC1A3SLC1A2SLC1A1MEN1
SCHEMBL9870528 0.88 ALDH1A1 (0.45) HDAC2FOLH1SLC1A3SLC1A2SLC1A1
Hydrochloric Acid SCHEMBL30169245 0.88 SLC1A3 (0.45) HDAC2SLC1A3SLC1A2SLC1A1MEN1
SCHEMBL8916935 0.86 TOP1 (0.56) MAPTMEN1KMT2AALDH1A1FFAR1
SCHEMBL9141093 0.83 HDAC2 (0.52) HDAC2HDAC3MAPK1ADRA1AHDAC4
SCHEMBL22336854 0.82 ALDH1A1 (0.50) MAPTFOLH1SLC1A3SLC1A2SLC1A1
SCHEMBL2300063 0.81 LTA4H (0.44) MAPK1HTTMAPTSLC1A3SLC1A2
Adipic Acid SCHEMBL9995086 0.81 MAPT (0.44) HDAC2HDAC3MAPK1ADRA1AHDAC4
SCHEMBL17019229 0.80 RRM1 (0.44) HDAC2MAPK1HTTMAPTSLC1A3

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
EP-2032623-A2 FILMS AND PARTICLES The Trustees of the Boston University (US) 2009-03-11 EP disclosed
WO-2007140483-A2 FILMS AND PARTICLES THE TRUSTEES OF THE BOSTON UNIVERSITY (US) 2007-12-06 WO disclosed