SCHEMBL10419280

SCHEMBL10419280

O=C(O)C(CCCCCc1ccc(Cl)cc1)C(=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.49
PPARG P37231 3/20 0.49
PDPK1 O15530 1/20 0.46
MDM2 Q00987 2/20 0.45
PLAAT3 P53816 1/20 0.45
PLAAT5 Q96KN8 1/20 0.45
PLAAT2 Q9NWW9 1/20 0.45
PLAAT4 Q9UL19 1/20 0.45
HDAC1 Q13547 2/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
TRPA1 O75762 1/20 0.43

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
SCHEMBL10941427 0.90 MDM2 (0.56) MDM2HDAC1HDAC3HDAC4HDAC7
SCHEMBL10941159 0.90 MDM2 (0.56) MDM2HDAC1HDAC3HDAC4HDAC7
SCHEMBL10941212 0.90 MDM2 (0.56) MDM2HDAC1HDAC3HDAC4HDAC7
SCHEMBL11208077 0.86 PPARA (0.56) PPARAPPARGPLAAT3PLAAT5PLAAT2
SCHEMBL20569893 0.85 PPARA (0.58) PPARAPPARGPLAAT3PLAAT5PLAAT2
SCHEMBL10419238 0.81 PPARA (0.51) PPARAPPARGPLAAT3PLAAT5PLAAT2
SCHEMBL11312936 0.80 PPARA (0.64) PPARAPPARGPLAAT3PLAAT5PLAAT2
SCHEMBL10419244 0.80 CNR1 (0.50) PPARAPPARGPLAAT3PLAAT5PLAAT2
SCHEMBL10419234 0.79 PPARA (0.57) PPARAPPARGPDPK1PLAAT3PLAAT5
SCHEMBL10419412 0.79 ALB (0.56) PPARAPPARGHDAC1SCN5ASCN2A

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
US-4933367-A Carboxylic acid derivatives, processes for the preparation thereof, the use thereof, and pharmaceutical compositions which contain these compounds BOEHRINGER MANNHEIM GMBH (DE) 1990-06-12 US disclosed