SCHEMBL6867446

SCHEMBL6867446

Nc1ccc(S(=O)(=O)CCCCCCCCCCC(=O)O)c2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.55
FABP4 P15090 6/20 0.45
HDAC1 Q13547 3/20 0.43
HDAC2 Q92769 3/20 0.43
HDAC3 O15379 2/20 0.43
HDAC4 P56524 2/20 0.43
HDAC7 Q8WUI4 2/20 0.43
HDAC10 Q969S8 2/20 0.43
HDAC11 Q96DB2 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC9 Q9UKV0 2/20 0.43
HDAC5 Q9UQL6 2/20 0.43
MAPT P10636 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
TBXA2R P21731 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TTR P02766 1/20 0.40
FABP5 Q01469 2/20 0.39
NSD2 O96028 2/20 0.38

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
SCHEMBL2013174 0.80 FABP4 (0.71) FABP4HDAC1HDAC3HDAC4HDAC10
SCHEMBL16097559 0.80 ALOX5AP (0.41) APEX1TTRNSD2PARP1
SCHEMBL8157776 0.79 APEX1 (0.54) APEX1HDAC1HDAC2HDAC3HDAC4
SCHEMBL1890166 0.77 APEX1 (0.58) APEX1HDAC1HDAC2HDAC3HDAC4
SCHEMBL4509393 0.77 APEX1 (0.58) APEX1HDAC1HDAC2HDAC3HDAC4
SCHEMBL6046348 0.77 CA2 (0.51) APEX1HDAC3TTRNSD2
SCHEMBL292555 0.76 APEX1 (0.45) APEX1HDAC3TTRNSD2
SCHEMBL1694943 0.76 APEX1 (0.45) APEX1TTRNSD2
SCHEMBL7784108 0.75 APEX1 (0.50) APEX1FABP4HDAC1HDAC2HDAC3
SCHEMBL10584726 0.74 HDAC1 (0.71) HDAC1HDAC2HDAC3HDAC4HDAC7

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6812017-B2 PHOSPHOLIPASE FOR USE IN THE PREVENTION AND TREATMENT OF INFLAMMATORY, CANCER, HEART, BRAIN, LUNG, ISCHEMIC AND RESPIRATORY DISORDERS CENTRE NATIONAL DE LA RECHERCHE SCIENTIQUE - CNRS (FR) 2004-11-02 US disclosed
WO-2003033689-A1 CLONING AND RECOMBINANT EXPRESSION OF MAMMALIAN SECRETED GROUP IIF PHOPHOLIPASE A2 CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE -CNRS- (FR) 2003-04-24 WO disclosed
US-20030073087-A1 Novel mammalian secreted group IIF phospholipase A2 CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE - CNRS, A CORPORATION OF FRANCE (FR) 2003-04-17 US disclosed