SCHEMBL11312936

SCHEMBL11312936

O=C(O)C(CCCc1ccc(Cl)cc1)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 6/20 0.64
PPARG P37231 5/20 0.64
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
IGF1R P08069 1/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.44
PLAAT3 P53816 1/20 0.44
PLAAT5 Q96KN8 1/20 0.44
PLAAT2 Q9NWW9 1/20 0.44
PLAAT4 Q9UL19 1/20 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
SCHEMBL20569893 0.94 PPARA (0.58) PPARAPPARGHDAC3HDAC4HDAC1
SCHEMBL11208077 0.93 PPARA (0.56) PPARAPPARGHDAC3HDAC4HDAC1
SCHEMBL7828484 0.90 PPARG (0.50) PPARAPPARGHDAC3HDAC4HDAC1
SCHEMBL11205164 0.84 PPARA (0.56) PPARAPPARGHDAC3HDAC4HDAC1
SCHEMBL5079189 0.84 PPARA (0.59) PPARAPPARGHDAC3HDAC4HDAC1
SCHEMBL5079192 0.84 PPARA (0.59) PPARAPPARGHDAC3HDAC4HDAC1
SCHEMBL10419238 0.83 PPARA (0.51) PPARAPPARGHDAC3HDAC4HDAC1
SCHEMBL3544881 0.82 GRIK1 (0.59) PPARAPPARGHDAC3HDAC4HDAC1
SCHEMBL13061661 0.81 ALDH1A1 (0.48) PPARAPPARGHSD17B10
SCHEMBL3544544 0.81 MAOB (0.53) PPARAPPARG

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
EP-0038343-A1 SUBSTITUTED CARBOXYLIC CETO-ACIDS, PROCESS FOR THE PREPARATION THEREOF, USE THEREOF AND MEDICINAL COMPOSITIONS CONTAINING THEM. BYK GULDEN LOMBERG CHEM FAB (DE) 1981-10-28 EP disclosed
WO-1981001285-A1 SUBSTITUTED CARBOXYLIC CETO-ACIDS,PROCESS FOR THE PREPARATION THEREOF,USE THEREOF AND MEDICINAL COMPOSITIONS CONTAINING THEM BYK GULDEN LOMBERG CHEM FAB (DE) 1981-05-14 WO disclosed