SCHEMBL8660410

SCHEMBL8660410

COc1ccccc1C(OCC1CC(O)CN1C(=O)OCc1ccccc1)(c1ccccc1)c1ccccc1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
ALDH1A1 P00352 2/20 0.40
NPSR1 Q6W5P4 2/20 0.39
TP53 P04637 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
AGTR2 P50052 1/20 0.38
HTR2C P28335 1/20 0.38
TSHR P16473 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PDK1 Q15118 1/20 0.36
PDK2 Q15119 1/20 0.36
PDK3 Q15120 1/20 0.36
PDK4 Q16654 1/20 0.36
PDE4B Q07343 1/20 0.36
PREP P48147 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
ACHE P22303 1/20 0.35
ADRA1D P25100 3/20 0.35

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
SCHEMBL8660417 0.92 POLB (0.43) POLBALDH1A1NPSR1TP53MEN1
SCHEMBL12248426 0.87 POLB (0.46) POLBALDH1A1NPSR1TP53MEN1
SCHEMBL6858148 0.87 ITGA4 (0.39) TP53MEN1KMT2AKDM4ELMNA
SCHEMBL8660375 0.85 SLC6A1 (0.36) POLBMEN1KMT2A
SCHEMBL8662709 0.84 MTNR1B (0.37) POLBTP53MEN1KMT2ATSHR
SCHEMBL8662093 0.84 PIK3CD (0.35) POLBMEN1KMT2AHPGD
SCHEMBL8661014 0.81 MAPT (0.38) POLBMEN1KMT2ALMNAMAPT
SCHEMBL8662962 0.80 PIK3CD (0.47) ALDH1A1NPSR1MEN1KMT2ACYP3A4
SCHEMBL8661342 0.80 ALDH1A1 (0.35) POLBALDH1A1MEN1KMT2ACYP3A4
SCHEMBL8662809 0.80 CYP2D6 (0.37) ALDH1A1TP53MEN1KMT2APDE4B

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-5714606-A OLIGONUCLEOTIDE HAVING RECEPTOR BINDING SITES; ENZYME INHIBITORS, ANTIINFLAMMATORY AGENTS, MEDICAL DIAGNOSIS ISIS PHARMACEUTICALS, INC. (US) 1998-02-03 US disclosed