SCHEMBL8660417

SCHEMBL8660417

COc1cccc(C(OCC2CC(O)CN2C(=O)OCc2ccccc2)(c2ccccc2)c2ccccc2)c1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
ALDH1A1 P00352 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TP53 P04637 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
AGTR2 P50052 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
HTR2C P28335 1/20 0.36
TSHR P16473 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PDK1 Q15118 1/20 0.35
PDK2 Q15119 1/20 0.35
PDK3 Q15120 1/20 0.35
PDK4 Q16654 1/20 0.35
PDE4B Q07343 1/20 0.35
HSD17B10 Q99714 1/20 0.34
HIF1A Q16665 1/20 0.34
SLC6A12 P48065 1/20 0.34

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
SCHEMBL8660410 0.92 POLB (0.44) POLBALDH1A1NPSR1TP53MEN1
SCHEMBL6858153 0.88 ITGA4 (0.38) ALDH1A1TP53MEN1KMT2ANPC1
SCHEMBL8660379 0.86 SLC6A1 (0.34) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL8662098 0.85 PIK3CD (0.34) POLBALDH1A1TSHRHIF1A
SCHEMBL8662717 0.85 MTNR1B (0.37) POLBALDH1A1TP53MEN1KMT2A
SCHEMBL12248426 0.84 POLB (0.46) POLBALDH1A1NPSR1TP53MEN1
SCHEMBL8661457 0.82 HPGD (0.35) ALDH1A1HIF1ASLC6A12
SCHEMBL8661019 0.82 LMNA (0.38) SLC6A12
SCHEMBL8662972 0.81 PIK3CD (0.45) ALDH1A1NPSR1MEN1KMT2ANPC1
SCHEMBL8661348 0.81 ALDH1A1 (0.34) POLBALDH1A1NPSR1MEN1KMT2A

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