SCHEMBL8896032

SCHEMBL8896032

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

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.36
MEN1 O00255 5/20 0.36
CTSD P07339 4/20 0.33
AKT1 P31749 2/20 0.33
CTSL P07711 2/20 0.32
CTSB P07858 2/20 0.32
CTSS P25774 2/20 0.32
CTSK P43235 1/20 0.32
REN P00797 1/20 0.32
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL8894245 0.92 CTSD (0.33) KMT2AMEN1CTSDAKT1CTSL
SCHEMBL8893215 0.92 KMT2A (0.33) KMT2AMEN1CTSDAKT1
SCHEMBL8893412 0.90 MEN1 (0.39) KMT2AMEN1CTSLCTSBCTSS
SCHEMBL8895105 0.88 MEN1 (0.37) KMT2AMEN1AKT1CTSLCTSB
SCHEMBL8894195 0.84 AKT1 (0.33) KMT2AMEN1CTSDAKT1CTSL
SCHEMBL8895723 0.82 MEN1 (0.34) KMT2AMEN1CTSLCTSBCTSS
SCHEMBL8893105 0.82 MEN1 (0.36) KMT2AMEN1CTSLCTSBCTSS
SCHEMBL8892968 0.80 MEN1 (0.36) KMT2AMEN1CTSLCTSBCTSS
SCHEMBL8895465 0.77 MEN1 (0.44) KMT2AMEN1AKT1CTSLCTSB
SCHEMBL8894670 0.77 MEN1 (0.40) KMT2AMEN1ALDH1A1KDM4ELMNA

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