SCHEMBL7743458

SCHEMBL7743458

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

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.57
▸ CASP3 P42574 4/20 0.44
▸ EPHX2 P34913 1/20 0.44
▸ TLR2 O60603 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
SCHEMBL6239789 0.85 KMT2A (0.58) KMT2ACASP3EPHX2
SCHEMBL31546963 0.84 KMT2A (0.57) KMT2ACASP3EPHX2TLR2
SCHEMBL12761610 0.84 KMT2A (0.59) KMT2ACASP3EPHX2
SCHEMBL14008332 0.83 KMT2A (0.64) KMT2ACASP3EPHX2TLR2
SCHEMBL12256997 0.83 KMT2A (0.58) KMT2ACASP3EPHX2TLR2
SCHEMBL13295942 0.83 KMT2A (0.64) KMT2ACASP3EPHX2TLR2
SCHEMBL4634027 0.83 KMT2A (0.58) KMT2ACASP3EPHX2TLR2
SCHEMBL30153728 0.83 KMT2A (0.55) KMT2ACASP3TLR2
SCHEMBL13379268 0.82 KMT2A (0.62) KMT2ACASP3EPHX2
SCHEMBL30582697 0.82 KMT2A (0.54) KMT2ACASP3TLR2

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
US-6426408-B1 PLURALITY OF NUCLEOTIDE UNITS WITH LINKING GROUP EPOCH BIOSCIENCES, INC. 2002-07-30 — — US disclosed
Send feedback