SCHEMBL7705059

SCHEMBL7705059

NC(CCCCCC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
POLB P06746 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
FABP5 Q01469 3/20 0.43
FABP7 O15540 2/20 0.43
TNF P01375 3/20 0.40
TLR2 O60603 2/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
EPHX2 P34913 1/20 0.39
MDM4 O15151 1/20 0.38
TP53 P04637 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
CASP3 P42574 1/20 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
SCHEMBL14237194 1.00 KMT2A (0.51) KMT2APOLBTDP1FABP5FABP7
SCHEMBL3427659 1.00 KMT2A (0.51) KMT2APOLBTDP1FABP5FABP7
SCHEMBL2116826 0.99 KMT2A (0.49) KMT2APOLBTDP1FABP5FABP7
SCHEMBL16598273 0.95 KMT2A (0.47) KMT2APOLBTDP1FABP5FABP7
SCHEMBL6426462 0.90 KMT2A (0.47) KMT2AFABP5FABP7TNFCA1
SCHEMBL8332721 0.90 KMT2A (0.47) KMT2AFABP5FABP7TNFCA1
SCHEMBL17110562 0.88 KMT2A (0.50) KMT2AFABP5FABP7TNFTLR2
SCHEMBL16678782 0.86 KMT2A (0.48) KMT2AFABP5FABP7TLR2CA1
SCHEMBL14759878 0.85 KMT2A (0.60) KMT2AFABP5FABP7TNFCA1
SCHEMBL22095619 0.85 KMT2A (0.47) KMT2APOLBTDP1FABP5FABP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1379786-A Modified peptides and peptidomimetics for use in immunotherapy AKZO NOBEL NV (NL) 2002-11-13 CN disclosed
EP-1226167-A1 MODIFIED PEPTIDES AND PEPTIDOMIMETICS FOR USE IN IMMUNOTHERAPY Akzo Nobel N.V. (NL) 2002-07-31 EP disclosed
WO-2001029081-A1 MODIFIED PEPTIDES AND PEPTIDOMIMETICS FOR USE IN IMMUNOTHERAPY AKZO NOBEL N.V. (NL) 2001-04-26 WO disclosed
WO-1994029333-A1 IMMUNOREACTIVE REAGENTS EMPLOYING MONOAMINE OXIDASE THE WELLCOME FOUNDATION LIMITED (GB) 1994-12-22 WO disclosed