SCHEMBL8894670

SCHEMBL8894670

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ATM Q13315 1/20 0.36
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
SLC6A2 P23975 1/20 0.34
HTR2A P28223 1/20 0.34
SLC6A4 P31645 1/20 0.34
ADRA1A P35348 1/20 0.34
OPRK1 P41145 1/20 0.34
SLC6A3 Q01959 1/20 0.34
KCNH2 Q12809 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
HPGD P15428 1/20 0.33
RIPK1 Q13546 1/20 0.33
MMP1 P03956 2/20 0.32
MMP3 P08254 2/20 0.32

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
SCHEMBL8895105 0.89 MEN1 (0.37) MEN1KMT2AALDH1A1KDM4EATM
SCHEMBL8894809 0.87 MEN1 (0.35) MEN1KMT2AALDH1A1KDM4EATM
SCHEMBL8893412 0.87 MEN1 (0.39) MEN1KMT2AALDH1A1KDM4EATM
SCHEMBL8710897 0.79 MMP1 (0.36) MEN1KMT2AALDH1A1KDM4EATM
SCHEMBL3050394 0.79 MEN1 (0.49) MEN1KMT2AALDH1A1KDM4EATM
SCHEMBL8893105 0.79 MEN1 (0.36) MEN1KMT2AALDH1A1KDM4EATM
SCHEMBL8895723 0.78 MEN1 (0.34) MEN1KMT2AALDH1A1KDM4EATM
SCHEMBL8896694 0.77
SCHEMBL8896032 0.77 KMT2A (0.36) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL8894195 0.77 AKT1 (0.33) 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