SCHEMBL3970920

SCHEMBL3970920

CC(C=Cc1ccccc1)=C(C=CC(=O)O)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.60
HDAC4 P56524 2/20 0.60
HDAC1 Q13547 2/20 0.60
HDAC2 Q92769 2/20 0.60
HDAC8 Q9BY41 2/20 0.60
HDAC6 Q9UBN7 2/20 0.60
HCAR2 Q8TDS4 2/20 0.60
TNKS O95271 1/20 0.60
HDAC7 Q8WUI4 1/20 0.60
HDAC10 Q969S8 1/20 0.60
HDAC11 Q96DB2 1/20 0.60
TNKS2 Q9H2K2 1/20 0.60
HDAC9 Q9UKV0 1/20 0.60
HDAC5 Q9UQL6 1/20 0.60
GLA P06280 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
ALDH1A1 P00352 3/20 0.50
PLIN1 O60240 2/20 0.50
LMNA P02545 2/20 0.50
MAPT P10636 2/20 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
SCHEMBL589902 0.82 GLA (0.51) HDAC3HDAC4HDAC1HDAC2HDAC8
Cinnamic Acid SCHEMBL7122183 0.79 HCAR2 (0.86) HDAC3HDAC4HDAC1HDAC2HDAC8
Cinnamic Acid SCHEMBL7122178 0.79 HCAR2 (0.86) HDAC3HDAC4HDAC1HDAC2HDAC8
Cinnamic Acid SCHEMBL30451745 0.79 HCAR2 (0.95) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL6635732 0.79 HDAC3 (0.55) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL3127156 0.78 TDP1 (0.64) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL10620508 0.78 TDP1 (0.64) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL221211 0.78 TDP1 (0.64) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL8386806 0.78 GLA (0.50) HDAC3HDAC4HDAC1HDAC2HDAC8
Cinnamic Acid SCHEMBL11809695 0.77 HCAR2 (0.83) HDAC3HDAC4HDAC1HDAC2HDAC8

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
WO-2009040291-A1 METHOD AND APPARATUS FOR MEASURING COLOUR PROPERTIES OF PLASTIC GRANULES BASF SE (DE) 2009-04-02 WO disclosed