SCHEMBL4068097

SCHEMBL4068097

CCCC(O)Cn1ncc(C(=O)OCC)c1NC(=O)NC(C)C

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.44
CYP2C19 P33261 2/20 0.44
LMNA P02545 3/20 0.42
ALDH1A1 P00352 6/20 0.41
KDM4E B2RXH2 4/20 0.41
MAPT P10636 2/20 0.41
RAB9A P51151 2/20 0.40
NPC1 O15118 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PAX8 Q06710 1/20 0.39
PDE4B Q07343 1/20 0.37
HTT P42858 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL4066908 0.91 CYP3A4 (0.46) CYP3A4CYP2C19LMNAALDH1A1KDM4E
SCHEMBL4062720 0.89 CYP3A4 (0.47) CYP3A4CYP2C19LMNAALDH1A1KDM4E
SCHEMBL18840958 0.82 ALDH1A1 (0.48) CYP3A4CYP2C19LMNAALDH1A1KDM4E
SCHEMBL4066874 0.82 MAPT (0.47) CYP3A4CYP2C19LMNAALDH1A1KDM4E
SCHEMBL4064412 0.77 NPC1 (0.57) LMNAALDH1A1KDM4EMAPTRAB9A
SCHEMBL4067165 0.75 MAPT (0.53) CYP3A4CYP2C19LMNAALDH1A1KDM4E
SCHEMBL4067626 0.73 LMNA (0.55) CYP3A4CYP2C19LMNAALDH1A1KDM4E
SCHEMBL4065398 0.73 MAPT (0.49) CYP3A4CYP2C19LMNAALDH1A1KDM4E
SCHEMBL4075047 0.73 MAPT (0.53) CYP3A4CYP2C19LMNAALDH1A1KDM4E
SCHEMBL4063854 0.72 MAPT (0.50) CYP3A4CYP2C19LMNAALDH1A1KDM4E

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