SCHEMBL2393243

SCHEMBL2393243

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

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
POLB P06746 1/20 0.44
HSD17B10 Q99714 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HPGD P15428 1/20 0.44
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
ATM Q13315 1/20 0.42
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 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
SCHEMBL27575238 0.90 KMT2A (0.51) MEN1KMT2AALDH1A1LMNAPOLB
SCHEMBL19099820 0.90 KMT2A (0.51) MEN1KMT2AALDH1A1LMNAPOLB
SCHEMBL531446 0.83 MEN1 (0.57) MEN1KMT2AALDH1A1LMNAPOLB
SCHEMBL22323298 0.83 MEN1 (0.57) MEN1KMT2AALDH1A1LMNAPOLB
SCHEMBL4473656 0.83 MEN1 (0.57) MEN1KMT2AALDH1A1LMNAPOLB
SCHEMBL5268338 0.81 SIGMAR1 (0.42) MEN1KMT2AALDH1A1L3MBTL1HPGD
SCHEMBL5268345 0.81 SIGMAR1 (0.42) MEN1KMT2AALDH1A1L3MBTL1HPGD
SCHEMBL9470012 0.79 ADRA2B (0.53) MEN1KMT2AALDH1A1HPGDNPC1
SCHEMBL1701279 0.78 KMT2A (0.76) MEN1KMT2AALDH1A1LMNAPOLB
SCHEMBL17557099 0.78 MEN1 (0.51) MEN1KMT2AALDH1A1LMNAPOLB

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-8013008-B2 Cyclic amine compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-09-06 US disclosed