SCHEMBL8893412

SCHEMBL8893412

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
ATM Q13315 1/20 0.33
RIPK1 Q13546 2/20 0.33
ANPEP P15144 1/20 0.33
MMP1 P03956 1/20 0.33
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
LMNA P02545 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
SLC6A2 P23975 1/20 0.31
HTR2A P28223 1/20 0.31
SLC6A4 P31645 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
SCHEMBL8895723 0.91 MEN1 (0.34) MEN1KMT2AALDH1A1KDM4EATM
SCHEMBL8893105 0.91 MEN1 (0.36) MEN1KMT2AALDH1A1KDM4EATM
SCHEMBL8896032 0.90 KMT2A (0.36) MEN1KMT2AALDH1A1KDM4ECTSL
SCHEMBL8894670 0.87 MEN1 (0.40) MEN1KMT2AALDH1A1KDM4EATM
SCHEMBL8894809 0.83 MEN1 (0.35) MEN1KMT2AALDH1A1KDM4EATM
SCHEMBL8893215 0.82 KMT2A (0.33) MEN1KMT2A
SCHEMBL8894245 0.82 CTSD (0.33) MEN1KMT2ACTSLCTSBCTSS
SCHEMBL8893641 0.80 ALDH1A1 (0.32) ALDH1A1CTSSCTSK
SCHEMBL8895958 0.78 ALDH1A1 (0.31) ALDH1A1
SCHEMBL8895105 0.77 MEN1 (0.37) MEN1KMT2AALDH1A1KDM4EATM

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