SCHEMBL8690804

SCHEMBL8690804

CC(=O)OOC1CCN(C(=O)[C@H](C)N)CC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 12/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
ROCK2 O75116 1/20 0.37
DPP4 P27487 4/20 0.36
DPP7 Q9UHL4 3/20 0.36
FAP Q12884 2/20 0.36
PREP P48147 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
HRH2 P25021 1/20 0.35
HRH1 P35367 1/20 0.35

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
SCHEMBL8690808 0.83 MEN1 (0.40) SMYD3MEN1ALDH1A1KMT2AROCK2
SCHEMBL8379153 0.80 ROCK2 (0.35) SMYD3ROCK2DPP4HRH2HRH1
SCHEMBL8690144 0.80 ROCK2 (0.35) SMYD3ROCK2DPP4HRH2HRH1
SCHEMBL15045201 0.80 DPP4 (0.49) SMYD3MEN1ALDH1A1KMT2AROCK2
SCHEMBL14655977 0.73 DPP4 (0.43) SMYD3DPP4DPP7FAPPREP
SCHEMBL15045183 0.73 DPP4 (0.43) SMYD3DPP4DPP7FAPPREP
SCHEMBL30364025 0.73 SMYD3 (0.52) SMYD3MEN1ALDH1A1KMT2ADPP4
SCHEMBL22629569 0.73 ALDH1A1 (0.66) SMYD3MEN1ALDH1A1KMT2ADPP4
SCHEMBL15045202 0.73 GPR119 (0.40) SMYD3MEN1ALDH1A1KMT2AROCK2
SCHEMBL6435636 0.73 ITGB3 (0.55) SMYD3DPP4HRH2HRH1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5747522-A ANTICOAGULANTS; ANTIINFLAMMATORY AGENTS; ANTITUMOR AGENTS HOFFMAN-LA ROCHE INC. (US) 1998-05-05 US disclosed
US-5670515-A TREATMENT OF THROMBOSIS, STROKE, CARDIAC INFARCT, INFLAMMATION, AND ARTERIOSCLEROSIS; ANTITUMOR AGENTS, WOUND HEALING AGENTS HOFFMANN-LA ROCHE INC. (US) 1997-09-23 US disclosed