SCHEMBL6735916

SCHEMBL6735916

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.47
HDAC3 O15379 2/20 0.47
HDAC4 P56524 2/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
PLIN1 O60240 2/20 0.47
LMNA P02545 2/20 0.47
RECQL P46063 2/20 0.47
PLIN5 Q00G26 2/20 0.47
ABHD5 Q8WTS1 2/20 0.47
ALDH1A1 P00352 2/20 0.47
F3 P13726 2/20 0.47
TNKS O95271 1/20 0.47
HCAR2 Q8TDS4 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
TNKS2 Q9H2K2 1/20 0.47

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
SCHEMBL5551883 0.87 HDAC3 (0.60) MAPTHDAC3HDAC4HDAC1HDAC2
SCHEMBL7651130 0.86 MAPT (0.50) MAPTHDAC3HDAC4HDAC1HDAC2
SCHEMBL12831228 0.80 MAPT (0.56) MAPTHDAC3HDAC4HDAC1HDAC2
SCHEMBL1245521 0.80 ALDH1A1 (0.44) MAPTHDAC3HDAC4HDAC1HDAC2
SCHEMBL26079487 0.80 ALDH1A1 (0.44) MAPTHDAC3HDAC4HDAC1HDAC2
Acrylamide SCHEMBL1226384 0.79 MAPT (0.57) MAPTHDAC3HDAC4HDAC1HDAC2
Acrylamide SCHEMBL1226382 0.79 MAPT (0.57) MAPTHDAC3HDAC4HDAC1HDAC2
SCHEMBL19058802 0.79 MAPT (0.47) MAPTHDAC3HDAC4HDAC1HDAC2
Butadiene SCHEMBL3762435 0.79 MAPT (0.50) MAPTHDAC3HDAC4HDAC1HDAC2
SCHEMBL3239009 0.78 MAPT (0.67) MAPTHDAC3HDAC4HDAC1HDAC2

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
US-6685966-B1 HYDROPHOBIC MATERIAL DISPERSED IN ADDITION POLYMER ENCAPSULATED IN EXTERNAL COATING OF AN OXIDE AND/OR HYDROXIDE OF ALUMINUM, SILICON, ZIRCONIUM AND/OR A TRANSITION METAL; INTERMEDIATE COATING OF AN ALKALINE EARTH METAL HYDROXIDE RHODIA CHIMIE (FR) 2004-02-03 US disclosed
US-6136891-A ORGANIC POLYMER CORE AND METAL OXIDE COATING, FILLERS OR ADDITIVES FOR PLASTICS OR ELASTOMERS. RHODIA CHIMIE (FR) 2000-10-24 US disclosed