SCHEMBL9540539

SCHEMBL9540539

C=C([C]=O)CCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.54
FFAR1 O14842 4/20 0.50
ALDH1A1 P00352 2/20 0.50
TDP1 Q9NUW8 3/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
HDAC1 Q13547 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HDAC3 O15379 1/20 0.45
MAPK1 P28482 1/20 0.45
ADRA1A P35348 1/20 0.45
HDAC4 P56524 1/20 0.45
SLC6A3 Q01959 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
MAPT P10636 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
SCHEMBL19097615 0.89 FFAR1 (0.59) KEAP1FFAR1HDAC2HDAC1HTT
SCHEMBL6440598 0.88 HDAC1 (0.57) KEAP1FFAR1TDP1HDAC2HDAC8
SCHEMBL711496 0.78 CES1 (0.50) FFAR1ALDH1A1HDAC8HDAC6MAPK1
SCHEMBL1563454 0.77 KEAP1 (0.61) KEAP1FFAR1ALDH1A1TDP1HDAC2
SCHEMBL7269710 0.75 KEAP1 (0.58) KEAP1FFAR1ALDH1A1TDP1HDAC2
SCHEMBL13082819 0.75 KEAP1 (0.58) KEAP1FFAR1ALDH1A1TDP1HDAC2
SCHEMBL5396090 0.74 TSHR (0.56) FFAR1ALDH1A1MAPT
SCHEMBL30529 0.72 KEAP1 (0.61) KEAP1FFAR1ALDH1A1TDP1HDAC2
SCHEMBL13035854 0.72 KEAP1 (0.61) KEAP1FFAR1ALDH1A1TDP1HDAC2
SCHEMBL10443363 0.72 KEAP1 (0.56) KEAP1FFAR1ALDH1A1TDP1HDAC2

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-1993001246-A1 REAGENT KIT FOR THE PRODUCTION OF SYNTHETIC-RESIN ELEMENTS FOR BONDING FIXATION ELEMENTS IN PLACE IN AN ATTACHMENT SURFACE UPAT GMBH & CO. (DE) 1993-01-21 WO claimed