SCHEMBL27430785

SCHEMBL27430785

CCCCCC(=O)Nc1ccc(CC(=O)OCC)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.58
DGAT2 Q96PD7 1/20 0.58
HPGD P15428 1/20 0.58
MAPT P10636 4/20 0.54
LMNA P02545 4/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
HTT P42858 1/20 0.54
HDAC3 O15379 1/20 0.54
HDAC4 P56524 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC7 Q8WUI4 1/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC10 Q969S8 1/20 0.54
HDAC11 Q96DB2 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
HDAC9 Q9UKV0 1/20 0.54
HDAC5 Q9UQL6 1/20 0.54
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53

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
SCHEMBL18248652 0.99 ENPP2 (0.60) ENPP2DGAT2HPGDMAPTLMNA
SCHEMBL18256373 0.90 KLK7 (0.57) HPGDMAPTLMNASMN1; SMN2HDAC3
SCHEMBL10682388 0.90 TP53 (0.58) HPGDMAPTLMNASMN1; SMN2HTT
SCHEMBL18256371 0.89 KLK7 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL18256354 0.89 HPGD (0.54) ENPP2DGAT2HPGDMAPTLMNA
SCHEMBL18256332 0.87 ALDH1A1 (0.58) HPGDMAPTLMNASMN1; SMN2HDAC10
SCHEMBL11237810 0.86 ENPP2 (0.59) ENPP2DGAT2HPGDMAPTLMNA
SCHEMBL9524719 0.86 ENPP2 (0.61) ENPP2DGAT2HPGDLMNASMN1; SMN2
SCHEMBL11467992 0.85 HDAC3 (0.56) MAPTSMN1; SMN2HDAC3HDAC4HDAC1
SCHEMBL18256355 0.85 HDAC3 (0.56) MAPTSMN1; SMN2HDAC3HDAC4HDAC1

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
CN-1111453-A Aryl sulfonamide derivatives and pharmaceutical compositions containing the same NIPPON KOKAN KK (JP) 1995-11-08 CN disclosed