SCHEMBL20120151

SCHEMBL20120151

CC(C)CC(NC(=O)OC(C)(C)C)C(=O)N1CCNCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.53
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
CTSL P07711 2/20 0.49
CTSK P43235 2/20 0.49
CTSB P07858 1/20 0.49
CTSS P25774 1/20 0.49
HRH2 P25021 2/20 0.48
HRH1 P35367 2/20 0.48
CAPN1 P07384 1/20 0.44
TSHR P16473 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
MAPT P10636 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GAA P10253 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
SCHEMBL13994323 1.00 MAPK1 (0.53) MAPK1ALDH1A1LMNAKMT2AMEN1
Valeric Acid SCHEMBL27839056 0.89 HRH2 (0.52) MAPK1ALDH1A1LMNAKMT2AMEN1
SCHEMBL1706174 0.88 MAPK1 (0.55) MAPK1ALDH1A1LMNAKMT2AMEN1
SCHEMBL1706172 0.88 MAPK1 (0.55) MAPK1ALDH1A1LMNAKMT2AMEN1
SCHEMBL12535753 0.88 MAPK1 (0.55) MAPK1ALDH1A1LMNAKMT2AMEN1
SCHEMBL7352660 0.86 MAPK1 (0.54) MAPK1ALDH1A1LMNAKMT2AMEN1
SCHEMBL22591021 0.84 CTSK (0.60) MAPK1ALDH1A1LMNAKMT2AMEN1
SCHEMBL19853291 0.84 CTSK (0.60) MAPK1ALDH1A1LMNAKMT2AMEN1
SCHEMBL8307745 0.84 CTSK (0.60) MAPK1ALDH1A1LMNAKMT2AMEN1
SCHEMBL29990568 0.84 TSHR (0.41) MAPK1ALDH1A1LMNAKMT2ACTSL

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
EP-2822559-B1 IMIDAZO[1,2-B]PYRIDAZINE-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND USES THEREOF LEXICON PHARMACEUTICALS INC (US) 2018-05-02 EP disclosed