SCHEMBL8602973

SCHEMBL8602973

COc1cccc(C2=C(c3cc(OCCN4CCCCC4)ccc3C=O)c3ccc(OC)cc3CC2)c1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EBP Q15125 1/20 0.64
SIGMAR1 Q99720 1/20 0.64
HRH3 Q9Y5N1 5/20 0.51
LTA4H P09960 2/20 0.46
BACE1 P56817 1/20 0.46
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 1/20 0.44

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
Nafoxidine SCHEMBL153125 0.78 EBP (1.00) EBPSIGMAR1HRH3LTA4HESR1
Nafoxidine SCHEMBL29494604 0.78 EBP (1.00) EBPSIGMAR1HRH3LTA4HESR1
Nafoxidine SCHEMBL10563464 0.78 EBP (1.00) EBPSIGMAR1HRH3LTA4HESR1
SCHEMBL8015672 0.78 EBP (0.88) EBPSIGMAR1HRH3LTA4HESR1
SCHEMBL7105763 0.78 ESR1 (0.72) EBPSIGMAR1HRH3LTA4HESR1
Nafoxidine SCHEMBL29562423 0.77 EBP (0.98) EBPSIGMAR1HRH3LTA4HESR1
Nafoxidine SCHEMBL115778 0.77 EBP (0.98) EBPSIGMAR1HRH3LTA4HESR1
Nafoxidine SCHEMBL8430193 0.77 EBP (0.98) EBPSIGMAR1HRH3LTA4HESR1
Hydrochloric Acid SCHEMBL7153807 0.77 ESR1 (0.71) EBPSIGMAR1HRH3LTA4HESR1
SCHEMBL7109994 0.77 EBP (0.61) EBPSIGMAR1HRH3LTA4HBACE1

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
EP-0826670-A1 Naphthalene compounds, intermediates, formulations, and methods ELI LILLY AND COMPANY (US) 1998-03-04 EP disclosed