SCHEMBL8107901

SCHEMBL8107901

CCOC(=O)COC1CCN(C(=O)c2c(-c3ccc(C(C)(C)C)cc3)n(C)n(-c3ccc(C#N)cc3)c2=O)CC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.38
ITGA2B P08514 4/20 0.38
CCR3 P51677 1/20 0.37
KDM1A O60341 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CETP P11597 5/20 0.35
GPR119 Q8TDV5 2/20 0.34
HRH2 P25021 1/20 0.34
HRH1 P35367 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
RORC P51449 1/20 0.34
ELANE P08246 1/20 0.33

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
SCHEMBL8114999 0.87 ITGB3 (0.53) ITGB3ITGA2BMEN1KMT2A
Hydrochloric Acid SCHEMBL8099625 0.87 ITGB3 (0.53) ITGB3ITGA2BMEN1KMT2A
SCHEMBL8108274 0.82 KIF11 (0.41) MEN1KMT2AHRH2HRH1HRH3
SCHEMBL8108261 0.78 CYP2C9 (0.34) MEN1KMT2AHRH2HRH1HRH3
Hydrochloric Acid SCHEMBL8113304 0.77 ITGB3 (0.50) ITGB3ITGA2BMEN1KMT2A
SCHEMBL8108986 0.77 RORC (0.38) ITGB3ITGA2BCCR3KDM1ACETP
SCHEMBL8108723 0.74 KIF11 (0.47) KDM1AMEN1KMT2A
SCHEMBL8108688 0.73 KIF11 (0.46) KDM1AMEN1KMT2AELANE
SCHEMBL8108259 0.71 KIF11 (0.33) MEN1KMT2AHRH2HRH1HRH3
SCHEMBL8113306 0.71 ALDH1A1 (0.42) MEN1KMT2AHRH2HRH1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-9165376-A None JP disclosed
EP-0987253-A1 PYRAZOLONE DERIVATIVES NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 2000-03-22 EP disclosed
US-5968967-A INHIBIT PLATELET AGGREGATION NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1999-10-19 US disclosed
JP-H09165376-A PYRAZOLONE COMPOUNDS NISSAN CHEM IND LTD 1997-06-24 JP disclosed