SCHEMBL28823765

SCHEMBL28823765

CC(C)C(NC(=O)CCCCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.68
▸ EPHX2 P34913 2/20 0.46
▸ CASP3 P42574 3/20 0.46
▸ TLR2 O60603 2/20 0.46

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
SCHEMBL15669323 1.00 KMT2A (0.68) KMT2AEPHX2CASP3TLR2
SCHEMBL7752815 0.93 KMT2A (0.67) KMT2ACASP3TLR2
SCHEMBL31546963 0.92 KMT2A (0.57) KMT2AEPHX2CASP3TLR2
SCHEMBL15669319 0.92 KMT2A (0.62) KMT2ACASP3TLR2
SCHEMBL31720110 0.86 KMT2A (0.52) KMT2ACASP3TLR2
SCHEMBL29697708 0.85 KMT2A (0.51) KMT2AEPHX2CASP3TLR2
SCHEMBL29603695 0.85 KMT2A (0.51) KMT2AEPHX2CASP3TLR2
SCHEMBL27637562 0.85 KMT2A (0.51) KMT2AEPHX2CASP3TLR2
SCHEMBL8902890 0.85 KMT2A (0.51) KMT2AEPHX2CASP3TLR2
SCHEMBL15669252 0.85 KMT2A (0.64) KMT2AEPHX2CASP3TLR2

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-105121421-A Spliceostatin analogs PFIZER 2015-12-02 — — CN disclosed
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