SCHEMBL4065398

SCHEMBL4065398

CCOC(=O)c1cnn(CC(O)CC)c1NC(=O)NCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
NAMPT P43490 1/20 0.49
LMNA P02545 1/20 0.48
ALDH1A1 P00352 7/20 0.47
ADORA1 P30542 1/20 0.45
KDM4E B2RXH2 3/20 0.43
HTT P42858 2/20 0.43
RAB9A P51151 2/20 0.43
PPID Q08752 1/20 0.43
PAX8 Q06710 1/20 0.43
NPSR1 Q6W5P4 2/20 0.43
KMT2A Q03164 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.41

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
SCHEMBL4066874 0.92 MAPT (0.47) MAPTNAMPTLMNAALDH1A1ADORA1
SCHEMBL4063854 0.91 MAPT (0.50) MAPTNAMPTLMNAALDH1A1ADORA1
SCHEMBL18840970 0.89 MAPT (0.48) MAPTNAMPTLMNAALDH1A1ADORA1
SCHEMBL4067626 0.82 LMNA (0.55) MAPTLMNAALDH1A1KDM4EHTT
SCHEMBL4066911 0.82 ALDH1A1 (0.49) MAPTLMNAALDH1A1KDM4ERAB9A
SCHEMBL4066908 0.81 CYP3A4 (0.46) MAPTLMNAALDH1A1KDM4EHTT
SCHEMBL4067165 0.80 MAPT (0.53) MAPTLMNAALDH1A1KDM4ERAB9A
SCHEMBL4062182 0.79 PAX8 (0.54) MAPTLMNAALDH1A1KDM4EHTT
SCHEMBL8697615 0.78 ALDH1A1 (0.55) MAPTLMNAALDH1A1ADORA1KDM4E
SCHEMBL18840973 0.76 ALDH1A1 (0.48) MAPTLMNAALDH1A1ADORA1KDM4E

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-2033955-A1 Urea derivatives of 1H-pyrazol-4-carboxylic acid with neutrophil chemotaxis inhibiting activity Universita' Degli Studi Di Genova (IT) 2009-03-11 EP claimed
EP-2033955-A1 Urea derivatives of 1H-pyrazol-4-carboxylic acid with neutrophil chemotaxis inhibiting activity Universita' Degli Studi Di Genova (IT) 2009-03-11 EP disclosed