SCHEMBL19919101

SCHEMBL19919101

O=C(O)CCC(=O)OCCNC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.70
▸ EPHX2 P34913 1/20 0.46
▸ CASP3 P42574 2/20 0.44
▸ FABP7 O15540 2/20 0.43
▸ FABP5 Q01469 2/20 0.43
▸ HTT P42858 1/20 0.41
▸ TLR2 O60603 1/20 0.41
▸ TLR1 Q15399 1/20 0.41

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
SCHEMBL8049533 0.91 KMT2A (0.79) KMT2AEPHX2CASP3HTTTLR2
SCHEMBL178687 0.87 KMT2A (0.81) KMT2AEPHX2CASP3FABP7FABP5
SCHEMBL29397906 0.87 KMT2A (0.81) KMT2AEPHX2CASP3FABP7FABP5
SCHEMBL29423575 0.87 KMT2A (0.81) KMT2AEPHX2CASP3FABP7FABP5
SCHEMBL19919104 0.87 KMT2A (0.57) KMT2AEPHX2CASP3FABP7FABP5
SCHEMBL30678051 0.86 KMT2A (0.72) KMT2AEPHX2CASP3FABP7FABP5
SCHEMBL29511558 0.86 KMT2A (0.72) KMT2AEPHX2CASP3FABP7FABP5
SCHEMBL12734983 0.86 KMT2A (0.72) KMT2AEPHX2CASP3FABP7FABP5
SCHEMBL31652641 0.86 KMT2A (0.75) KMT2AEPHX2CASP3FABP7FABP5
SCHEMBL34141 0.85 KMT2A (0.70) KMT2AEPHX2CASP3FABP7FABP5

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-2018039647-A1 RNAI CONSTRUCTS FOR INHIBITING ASGR1 EXPRESSION AND METHODS OF USE THEREOF AMGEN INC. (US) 2018-03-01 — — WO disclosed
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