SCHEMBL7449759

SCHEMBL7449759

CCOC(=O)C(C)C(C(=O)OC(C)(C)C)N1CCC(N2CCN(c3ccc(C=NN)cc3)CC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.37
ALOX12 P18054 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 2/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
POLB P06746 1/20 0.34
GPR119 Q8TDV5 2/20 0.34
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
MAPT P10636 2/20 0.33
LGMN Q99538 2/20 0.33
ALOX15 P16050 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
RORC P51449 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
SCHEMBL7441385 0.90 KDM4E (0.40) GAAALOX12SMN1; SMN2KDM4ECYP2C9
Trifluoroacetic Acid SCHEMBL7447966 0.87 KDM4E (0.37) GAAALOX12SMN1; SMN2KDM4ECYP2C9
SCHEMBL7449755 0.84 ITGB3 (0.52) GAAALOX12SMN1; SMN2KDM4ECYP2C9
Iodomethane SCHEMBL9367652 0.84 KDM4E (0.42) GAAALOX12SMN1; SMN2KDM4ECYP2C9
SCHEMBL7431827 0.83 KMT2A (0.40) GAAALOX12SMN1; SMN2KDM4ECYP2C9
SCHEMBL7345353 0.78 ITGB3 (0.47) SMN1; SMN2KDM4ECYP2C9CYP2C19KMT2A
SCHEMBL7344483 0.78 ITGB3 (0.48) GAAALOX12SMN1; SMN2KDM4ECYP2C9
SCHEMBL27416769 0.76 KDM4E (0.42) GAASMN1; SMN2KDM4ECYP2C9CYP2C19
Trifluoroacetic Acid SCHEMBL7341382 0.75 ITGB3 (0.46) GAAALOX12SMN1; SMN2KDM4ECYP2C9
SCHEMBL7441356 0.74 ITGB3 (0.57) KDM4ECYP2C9CYP2C19KMT2AMEN1

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