SCHEMBL8894581

SCHEMBL8894581

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
SLC6A2 P23975 1/20 0.42
HTR2A P28223 1/20 0.42
SLC6A4 P31645 1/20 0.42
ADRA1A P35348 1/20 0.42
OPRK1 P41145 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KCNH2 Q12809 1/20 0.42
LMNA P02545 2/20 0.41
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HPGD P15428 1/20 0.40
ACE P12821 2/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39

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
SCHEMBL5564818 0.87 LMNA (0.51) MEN1KMT2AADRA2BADRA2CSLC6A2
SCHEMBL7781713 0.87 LMNA (0.51) MEN1KMT2AADRA2BADRA2CSLC6A2
SCHEMBL5564821 0.87 LMNA (0.51) MEN1KMT2AADRA2BADRA2CSLC6A2
SCHEMBL18522814 0.87 LMNA (0.51) MEN1KMT2AADRA2BADRA2CSLC6A2
SCHEMBL8895729 0.85 L3MBTL1 (0.34) MEN1KMT2AADRA2BADRA2CSLC6A2
SCHEMBL8895202 0.84 ALDH1A1 (0.38) MEN1KMT2AADRA2BADRA2CSLC6A2
SCHEMBL3050396 0.83 KMT2A (0.49) MEN1KMT2AADRA2BADRA2CSLC6A2
SCHEMBL8713433 0.78 MMP1 (0.44) MEN1KMT2AADRA2BADRA2CSLC6A2
SCHEMBL21816801 0.78 MEN1 (0.47) MEN1KMT2AADRA2BADRA2CSLC6A2
SCHEMBL22957214 0.78 MEN1 (0.47) MEN1KMT2AADRA2BADRA2CSLC6A2

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