SCHEMBL13243744

SCHEMBL13243744

COC(=O)C(C)OC(=O)C(C)N(C)Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
SLC6A2 P23975 1/20 0.44
HTR2A P28223 1/20 0.44
SLC6A4 P31645 1/20 0.44
ADRA1A P35348 1/20 0.44
OPRK1 P41145 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KCNH2 Q12809 1/20 0.44
CHRNB2 P17787 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA4 P43681 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.42

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
SCHEMBL27783385 0.90 KMT2A (0.56) MEN1KMT2ANPC1RAB9AADRA2B
SCHEMBL19203449 0.90 KMT2A (0.56) MEN1KMT2ANPC1RAB9AADRA2B
SCHEMBL13243816 0.79 DPP7 (0.52) MEN1KMT2AKCNH2L3MBTL1MAPT
SCHEMBL11015731 0.79 MEN1 (0.55) MEN1KMT2ANPC1RAB9AADRA2B
SCHEMBL21258291 0.79 MEN1 (0.55) MEN1KMT2ANPC1RAB9AADRA2B
SCHEMBL14202766 0.79 NPC1 (0.51) MEN1KMT2ANPC1RAB9AADRA2B
SCHEMBL3046145 0.78 KMT2A (0.48) MEN1KMT2ANPC1RAB9AADRA2B
SCHEMBL17559610 0.78 ATM (0.52) MEN1KMT2ANPC1RAB9AADRA2B
SCHEMBL17559609 0.78 ATM (0.52) MEN1KMT2ANPC1RAB9AADRA2B
SCHEMBL19521035 0.77 KMT2A (0.46) MEN1KMT2ANPC1RAB9AADRA2B

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-7772190-B2 Didepsipeptide-based endoparasiticides, new didepsipeptides and process for preparing the same BAYER ANIMAL HEALTH GMBH (DE) 2010-08-10 US disclosed