SCHEMBL10420482

SCHEMBL10420482

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.47
PPARG P37231 3/20 0.47
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
TBXAS1 P24557 1/20 0.40
MGLL Q99685 2/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
LTB4R Q15722 2/20 0.40
S1PR2 O95136 1/20 0.39
S1PR1 P21453 1/20 0.39

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
SCHEMBL9614046 0.96 PPARA (0.48) PPARAPPARGTBXAS1MGLLMMP2
SCHEMBL9614023 0.94 PPARA (0.47) PPARAPPARGHDAC3HDAC4HDAC1
SCHEMBL9613995 0.94 PPARA (0.53) PPARAPPARGMMP2MMP9S1PR2
SCHEMBL9614269 0.92 PPARA (0.51) PPARAPPARGMMP2MMP9S1PR2
SCHEMBL9858450 0.91 PPARA (0.48) PPARAPPARGHDAC3HDAC4HDAC1
SCHEMBL9614112 0.91 PPARA (0.48) PPARAPPARGHDAC3HDAC4HDAC1
SCHEMBL9614107 0.91 PPARA (0.48) PPARAPPARGHDAC3HDAC4HDAC1
SCHEMBL9613868 0.89 PPARA (0.49) PPARAPPARGHDAC3HDAC4HDAC1
SCHEMBL9613829 0.89 KMT2A (0.45) PPARAPPARGHDAC3HDAC4HDAC1
SCHEMBL9613998 0.85 PPARA (0.48) PPARAPPARGMMP2

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