SCHEMBL8895465

SCHEMBL8895465

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
AKT1 P31749 3/20 0.42
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
SLC6A2 P23975 1/20 0.41
HTR2A P28223 1/20 0.41
SLC6A4 P31645 1/20 0.41
ADRA1A P35348 1/20 0.41
OPRK1 P41145 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KCNH2 Q12809 1/20 0.41
CTSL P07711 2/20 0.40
CTSB P07858 2/20 0.40
CTSS P25774 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ATM Q13315 1/20 0.40
HPGD P15428 1/20 0.40
RIPK1 Q13546 1/20 0.40

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
SCHEMBL3046151 0.88 MEN1 (0.48) MEN1KMT2AADRA2BADRA2CSLC6A2
SCHEMBL3050394 0.85 MEN1 (0.49) MEN1KMT2AADRA2BADRA2CSLC6A2
SCHEMBL8895198 0.84 AKT1 (0.39) MEN1KMT2AAKT1ADRA2BADRA2C
SCHEMBL8895105 0.81 MEN1 (0.37) MEN1KMT2AAKT1CTSLCTSB
SCHEMBL8908352 0.80 MEN1 (0.52) MEN1KMT2AADRA2BADRA2CSLC6A2
SCHEMBL8896032 0.77 KMT2A (0.36) MEN1KMT2AAKT1CTSLCTSB
SCHEMBL8895474 0.74 MEN1 (0.43) MEN1KMT2AAKT1ADRA2BADRA2C
SCHEMBL40674 0.73 KMT2A (0.57) MEN1KMT2AADRA2BADRA2CSLC6A2
SCHEMBL7144646 0.73 KMT2A (0.57) MEN1KMT2AADRA2BADRA2CSLC6A2
SCHEMBL3054171 0.73 KMT2A (0.57) 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