SCHEMBL8893215

SCHEMBL8893215

CCC(C)[C@H](NC)C(=O)CC(O)(C(=O)OC(C)(C)C)C(=O)C(O)(CC(=O)C(C)(O)C(=O)[C@H](C)N(C)Cc1ccccc1)C(=O)[C@@H](NC)C(C)CC

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
CTSD P07339 2/20 0.31
AKT1 P31749 2/20 0.30

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
SCHEMBL8896032 0.92 KMT2A (0.36) KMT2AMEN1CTSDAKT1
SCHEMBL8893105 0.91 MEN1 (0.36) KMT2AMEN1
SCHEMBL8892968 0.88 MEN1 (0.36) KMT2AMEN1
SCHEMBL8894245 0.84 CTSD (0.33) KMT2AMEN1CTSDAKT1
SCHEMBL8714483 0.84 MEN1 (0.35) KMT2AMEN1
SCHEMBL8893412 0.82 MEN1 (0.39) KMT2AMEN1
SCHEMBL8893922 0.81 MEN1 (0.37) KMT2AMEN1
SCHEMBL8895105 0.80 MEN1 (0.37) KMT2AMEN1AKT1
SCHEMBL9099122 0.77 MMP1 (0.33) KMT2ACTSD
SCHEMBL8894195 0.77 AKT1 (0.33) KMT2AMEN1CTSDAKT1

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-5624897-A PARASITICIDES, NEMATOSIDES OF CYCLIC PEPTIDE LACTONES FOR VETERINARY MEDICINE BAYER AKTIENGESELLSCHAFT (DE) 1997-04-29 US disclosed