SCHEMBL28945679

SCHEMBL28945679

COc1cc(N2CC3(CCN(C(=O)OC(C)(C)C)CC3)C2)ccc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
LMNA P02545 2/20 0.54
SIRT6 Q8N6T7 1/20 0.52
MAPT P10636 3/20 0.50
HSD17B10 Q99714 3/20 0.45
CYP3A4 P08684 3/20 0.45
USP2 O75604 2/20 0.45
CYP2C19 P33261 2/20 0.45
MAPK1 P28482 2/20 0.44
HPGD P15428 1/20 0.44
HIF1A Q16665 1/20 0.44
CYP1A2 P05177 2/20 0.44
CCNT1 O60563 1/20 0.41
CDK9 P50750 1/20 0.41
CYP11B2 P19099 1/20 0.41
GPR183 P32249 1/20 0.40
MET P08581 1/20 0.40
SCD5 Q86SK9 1/20 0.39
GPR119 Q8TDV5 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL17411227 0.94 ALDH1A1 (0.59) ALDH1A1LMNASIRT6MAPTHSD17B10
SCHEMBL30497528 0.91 LMNA (0.54) ALDH1A1LMNASIRT6MAPTCCNT1
SCHEMBL17197284 0.91 LMNA (0.54) ALDH1A1LMNASIRT6MAPTCCNT1
SCHEMBL30082676 0.88 MAPT (0.52) ALDH1A1LMNASIRT6MAPTHSD17B10
SCHEMBL24794212 0.88 MAPT (0.52) ALDH1A1LMNASIRT6MAPTHSD17B10
SCHEMBL310369 0.87 MAPT (0.65) ALDH1A1LMNASIRT6MAPTMET
SCHEMBL29802982 0.87 MAPT (0.65) ALDH1A1LMNASIRT6MAPTMET
SCHEMBL17411216 0.86 ALDH1A1 (0.50) ALDH1A1LMNASIRT6MAPTMAPK1
SCHEMBL17411129 0.85 ALDH1A1 (0.47) ALDH1A1LMNASIRT6MAPTCYP3A4
SCHEMBL19633455 0.85 ALDH1A1 (0.54) ALDH1A1LMNASIRT6MAPTHSD17B10

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
CN-114805303-A Molecule with double functions of degrading EGFR (epidermal growth factor receptor), composition and pharmaceutical application thereof 海思科医药集团股份有限公司 2022-07-29 CN disclosed