SCHEMBL7057723

SCHEMBL7057723

CCCCN(Cc1ccccc1[N+](=O)[O-])C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46
ALDH1A1 P00352 1/20 0.43
SNCA P37840 2/20 0.42

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
SCHEMBL3765002 0.83 SNCA (0.46) ALDH1A1SNCA
SCHEMBL18322761 0.81 SNCA (0.43) BCHEACHESNCA
SCHEMBL3398769 0.81 CA2 (0.46) SNCA
SCHEMBL27829874 0.81 SNCA (0.42) ALDH1A1SNCA
SCHEMBL29555802 0.80 EGFR (0.50)
SCHEMBL2061458 0.80 ALDH1A1 (0.49) BCHEACHEALDH1A1
SCHEMBL3149580 0.80 NR1D1 (0.47) ALDH1A1
SCHEMBL20512380 0.79 BCHE (0.54) BCHEACHEALDH1A1SNCA
SCHEMBL27848279 0.79 ALDH1A1 (0.45) ALDH1A1
SCHEMBL19717778 0.79 ALDH1A1 (0.46) ALDH1A1

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
US-6762180-B1 Substituted indolines which inhibit receptor tyrosine kinases BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-07-13 US disclosed