SCHEMBL6682953

SCHEMBL6682953

COc1ccccc1NC(=O)OC1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.53
ACHE P22303 1/20 0.52
BACE1 P56817 1/20 0.52
KMT2A Q03164 2/20 0.49
PKM P14618 2/20 0.49
MAPK1 P28482 1/20 0.49
ALDH1A1 P00352 2/20 0.48
CHRM3 P20309 1/20 0.48
GPR119 Q8TDV5 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PDE4A P27815 2/20 0.48
PDE4B Q07343 2/20 0.48
PDE4C Q08493 2/20 0.48
PDE4D Q08499 2/20 0.48
PTPN2 P17706 1/20 0.47
PTPN1 P18031 1/20 0.47
PTPN6 P29350 1/20 0.47
KDM4E B2RXH2 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL828713 0.86 CHRM3 (0.51) KMT2APKMALDH1A1CHRM3GPR119
SCHEMBL17205165 0.85 TGFBR1 (0.57) TGFBR1ACHEBACE1KMT2APKM
SCHEMBL6667431 0.84 ACHE (0.57) ACHEBACE1KMT2APKMMAPK1
SCHEMBL24906656 0.84 CHRM3 (0.70) CHRM3
SCHEMBL829166 0.83 NAMPT (0.45) PKMALDH1A1CHRM3GPR119PTPN2
SCHEMBL29744615 0.82 ALDH1A1 (0.63) TGFBR1ACHEBACE1PKMMAPK1
SCHEMBL1673587 0.82 ALDH1A1 (0.63) TGFBR1ACHEBACE1PKMMAPK1
SCHEMBL13930893 0.82 TGFBR1 (0.58) TGFBR1ACHEBACE1KMT2APKM
SCHEMBL19066214 0.81 CHRM3 (0.48) PKMCHRM3GPR119PTPN2PTPN1
SCHEMBL28685992 0.81 ACHE (0.65) TGFBR1ACHEBACE1KMT2AALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004014425-A1 ACTIVATORS OF SMALL CONDUCTANCE CALCIUM ACTIVATED POTASSIUM CHANNELS AND USE THEREOF GLAXO GROUP LIMITED (GB) 2004-02-19 WO disclosed