SCHEMBL7438549

SCHEMBL7438549

CC(c1ccccc1)C(C(=O)OC(C)(C)C)N1CCC(N2CCN(c3ccc(C(N)=S)cc3)CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.42
ALDH1A1 P00352 5/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
ALOX15 P16050 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
GPR119 Q8TDV5 3/20 0.39
MAPT P10636 2/20 0.37
HIF1A Q16665 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
THRB P10828 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL7438673 0.91 ITGB3 (0.52) KDM4EALDH1A1CYP2C9CYP2C19MEN1
Hydrogen Sulfide SCHEMBL7442224 0.80 NPY2R (0.50) KDM4EALDH1A1CYP2C9CYP2C19MEN1
SCHEMBL7435911 0.79 ITGB3 (0.57) KDM4EALDH1A1CYP2C9CYP2C19MEN1
Trifluoroacetic Acid SCHEMBL7448252 0.77 ITGB3 (0.52) KDM4EALDH1A1CYP2C9CYP2C19MEN1
SCHEMBL7443543 0.77 MEN1 (0.40) KDM4EALDH1A1CYP2C9CYP2C19MEN1
SCHEMBL7337291 0.75 ITGB3 (0.56) KDM4EALDH1A1CYP2C9CYP2C19MEN1
SCHEMBL7336222 0.75 ITGB3 (0.46) KDM4EALDH1A1CYP2C9CYP2C19MEN1
SCHEMBL7449755 0.75 ITGB3 (0.52) KDM4ECYP2C9CYP2C19MEN1KMT2A
SCHEMBL7436177 0.74 ITGB3 (0.51) KDM4EALDH1A1CYP2C9CYP2C19MEN1
SCHEMBL7437197 0.73 ITGB3 (0.41) KDM4EALDH1A1CYP2C9CYP2C19MEN1

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
EP-0623120-A1 PIPERIDINEACETIC ACID DERIVATIVES AS INHIBITORS OF FIBRINOGEN-DEPENDENT BLOOD PLATELET AGGREGATION GLAXO GROUP LIMITED (GB) 1994-11-09 EP disclosed
WO-1993014077-A1 PIPERIDINEACETIC ACID DERIVATIVES AS INHIBITORS OF FIBRINOGEN-DEPENDENT BLOOD PLATELET AGGREGATION GLAXO GROUP LIMITED (GB) 1993-07-22 WO disclosed