SCHEMBL8957258

SCHEMBL8957258

C#CC(C)(C)NC(=O)c1nocc1C(=O)OCC

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.38
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 4/20 0.35
TSHR P16473 2/20 0.35
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
ADRB3 P13945 1/20 0.34
HPGD P15428 2/20 0.33
NPC1 O15118 2/20 0.33
PKM P14618 1/20 0.32
RAB9A P51151 1/20 0.32
IDO1 P14902 1/20 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
SCHEMBL8304861 0.81 MEN1 (0.31) MEN1KMT2AL3MBTL1NPC1PKM
SCHEMBL8957126 0.79 NPC1 (0.42) DPP4KDM4EALDH1A1TSHRADRB2
SCHEMBL8957191 0.75 MAPK1 (0.42) KDM4EALDH1A1TSHRMEN1KMT2A
SCHEMBL8957137 0.74 KDM4E (0.46) KDM4EALDH1A1TSHRMEN1KMT2A
SCHEMBL7454997 0.73 ALDH1A1 (0.49) KDM4EALDH1A1TSHRMAPK1HPGD
SCHEMBL8957159 0.73 TSHR (0.44) KDM4EALDH1A1TSHRMEN1KMT2A
SCHEMBL8957108 0.72 DPP4 (0.34) DPP4KDM4EALDH1A1TSHRMAPK1
SCHEMBL5410864 0.69 TSHR (0.50) KDM4EALDH1A1TSHRMEN1KMT2A
SCHEMBL22213857 0.69 KDM4E (0.46) KDM4EALDH1A1TSHRMEN1KMT2A
SCHEMBL7948540 0.68 GAA (0.42) KDM4EALDH1A1TSHRHPGDNPC1

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-5576270-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1996-11-19 US disclosed