SCHEMBL3386410

SCHEMBL3386410

C=C(CCCCC(=O)O)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.62
HDAC8 Q9BY41 3/20 0.62
HDAC3 O15379 2/20 0.62
HDAC4 P56524 2/20 0.62
HDAC7 Q8WUI4 2/20 0.62
HDAC2 Q92769 2/20 0.62
HDAC10 Q969S8 2/20 0.62
HDAC11 Q96DB2 2/20 0.62
HDAC6 Q9UBN7 2/20 0.62
HDAC9 Q9UKV0 2/20 0.62
HDAC5 Q9UQL6 2/20 0.62
LMNA P02545 4/20 0.52
MAPT P10636 3/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
NR4A2 P43354 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
MAPK1 P28482 2/20 0.50
ADRA1A P35348 1/20 0.50
SLC6A3 Q01959 1/20 0.50

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
SCHEMBL3383369 0.96 HDAC3 (0.57) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL7984999 0.89 MAOA (0.52) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL11050834 0.89 SMN1; SMN2 (0.58) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL3383700 0.87 NR4A2 (0.61) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL7217517 0.87 L3MBTL1 (0.54) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL7986401 0.84 MAOA (0.52) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL14404131 0.84 MAPK1 (0.49) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL431388 0.84 LMNA (0.48) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL28897319 0.81 HDAC1 (0.69) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL1899361 0.81 AKT1 (0.47) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1329497-B1 Utilization of unsaturated esters as perfuming ingredients FIRMENICH & CIE (CH) 2010-12-01 EP claimed