SCHEMBL16925663

SCHEMBL16925663

O=C(NCCCCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)ON1C(=O)CCC1=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.53
▸ TLR2 O60603 4/20 0.45
▸ TLR1 Q15399 1/20 0.45
▸ MDM4 O15151 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ MDM2 Q00987 4/20 0.43
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42

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
SCHEMBL20435349 0.94 KMT2A (0.52) KMT2ATLR2TLR1MDM2
SCHEMBL31010133 0.94 KMT2A (0.52) KMT2ATLR2TLR1MDM2
SCHEMBL29400519 0.92 TLR2 (0.51) KMT2ATLR2TLR1MDM4TP53
SCHEMBL29531876 0.92 TLR2 (0.54) KMT2ATLR2TLR1MDM2
SCHEMBL29521704 0.92 TLR2 (0.51) KMT2ATLR2TLR1MDM4TP53
SCHEMBL31493934 0.92 TLR2 (0.51) KMT2ATLR2TLR1MDM4TP53
SCHEMBL5312217 0.92 TLR2 (0.51) KMT2ATLR2TLR1MDM4TP53
SCHEMBL12852253 0.92 TLR2 (0.51) KMT2ATLR2TLR1MDM4TP53
SCHEMBL14770862 0.92 TLR2 (0.44) KMT2ATLR2MDM4TP53MDM2
SCHEMBL30546904 0.89 TLR2 (0.48) KMT2ATLR2TLR1MDM4TP53

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
WO-2015106599-A1 CONJUGATES AND COMPOSITIONS FOR DRUG DELIVERY BRIGHTGENE BIO-MEDICAL TECHNOLOGY CO., LTD. (CN) 2015-07-23 — — WO disclosed
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