SCHEMBL7426434

SCHEMBL7426434

NCOC(=O)Cc1ccc2c(c1)NCC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.38
PPARD Q03181 3/20 0.38
PPARA Q07869 3/20 0.38
JAK2 O60674 1/20 0.38
JAK3 P52333 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
CYP2C9 P11712 2/20 0.36
CYP1A2 P05177 1/20 0.36
YWHAG P61981 1/20 0.35
ACHE P22303 4/20 0.35
GFER P55789 1/20 0.35
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
ALDH1A1 P00352 1/20 0.33
ALOX15 P16050 1/20 0.33
CYP2C19 P33261 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 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
SCHEMBL11977139 0.83 GFER (0.47) PPARGPPARDPPARAJAK2JAK3
SCHEMBL8003028 0.81 PPARG (0.42) PPARGPPARDPPARASMN1; SMN2ACHE
SCHEMBL9328756 0.79 KDM4E (0.45) PPARGPPARDPPARASMN1; SMN2ACHE
SCHEMBL13369061 0.75 SMN1; SMN2 (0.43) PPARGPPARDPPARASMN1; SMN2ACHE
SCHEMBL3084052 0.75 PPARG (0.54) PPARGPPARDPPARASMN1; SMN2ACHE
SCHEMBL4561083 0.72 PPARG (0.51) PPARGPPARDPPARAACHEALDH1A1
SCHEMBL13216045 0.72 SMN1; SMN2 (0.41) SMN1; SMN2CYP1A2GFERDRD2DRD4
SCHEMBL7600296 0.72 DRD2 (0.44) PPARGPPARDPPARASMN1; SMN2ACHE
SCHEMBL6274911 0.71 ALDH1A1 (0.47) JAK2JAK3SMN1; SMN2CYP2C9ACHE
SCHEMBL3091261 0.71 PPARG (0.49) PPARGPPARDPPARAACHEALDH1A1

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-1240154-A1 SERINE PROTEASE INHIBITORS Tularik Limited (GB) 2002-09-18 EP disclosed
WO-2001044226-A1 SERINE PROTEASE INHIBITORS TULARIK LIMITED (GB) 2001-06-21 WO disclosed