SCHEMBL8338192

SCHEMBL8338192

CC(C)NC(=O)OCC(=O)c1ccccc1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.56
HTT P42858 1/20 0.56
ADRB2 P07550 2/20 0.48
ADRB1 P08588 2/20 0.48
ADRB3 P13945 2/20 0.48
CASP3 P42574 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
PTPN1 P18031 1/20 0.46
ERCC5 P28715 1/20 0.46
FEN1 P39748 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
POLB P06746 1/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
LMNA P02545 2/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.42
MEN1 O00255 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
SCHEMBL8341968 0.78 NPC1 (0.51) ADRB2ADRB1ADRB3SMN1; SMN2KDM4E
SCHEMBL3377192 0.77 GAA (0.63) TP53HTTADRB2ADRB1ADRB3
SCHEMBL18598078 0.76 PTPN1 (0.49) TP53HTTADRB2ADRB1ADRB3
SCHEMBL8335416 0.76 KDM4E (0.47) ADRB2ADRB1ADRB3PTPN1POLB
SCHEMBL31607663 0.74 PTPN1 (0.53) HTTCASP3SENP7SENP6PTPN1
SCHEMBL13036685 0.74 PTPN1 (0.53) HTTCASP3SENP7SENP6PTPN1
SCHEMBL8339223 0.73 MAPT (0.51) PTPN1ERCC5FEN1SMN1; SMN2POLB
SCHEMBL8338779 0.71 ALDH1A1 (0.64) HTTERCC5FEN1SMN1; SMN2NPC1
SCHEMBL18329403 0.71 CASP3 (0.43) ADRB2ADRB1ADRB3CASP3SENP7
SCHEMBL20508992 0.71 PTPN1 (0.74) HTTPTPN1ERCC5FEN1SMN1; SMN2

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
US-5968975-A TREATING ATHEROSCLEROSIS AMERICAN HOME PRODUCTS CORPORATION (US) 1999-10-19 US disclosed
WO-1998057925-A1 ELEVATION OF HDL CHOLESTEROL BY 2-[(AMINOTHIOXOMETHYL)-HYDRAZONO]-2-ARYLETHYL CARBAMATES AMERICAN HOME PRODUCTS CORPORATION (US) 1998-12-23 WO disclosed