SCHEMBL10822575

SCHEMBL10822575

COC(=O)c1ccc(CC[C@@H](C)N(C[C@H](O)c2ccccc2)C[C@H](O)c2ccccc2)s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 3/20 0.38
HDAC4 P56524 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
KDM4E B2RXH2 5/20 0.37
AOC3 Q16853 2/20 0.36
MRGPRX4 Q96LA9 1/20 0.35
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
HSD17B10 Q99714 1/20 0.34
POLB P06746 1/20 0.34
NPSR1 Q6W5P4 2/20 0.34
LMNA P02545 1/20 0.34
PPARG P37231 1/20 0.34
NCOA2 Q15596 1/20 0.34
NCOA1 Q15788 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
HPGD P15428 2/20 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
SCHEMBL10822579 1.00 PTGER4 (0.38) PTGER4HDAC4HDAC6KDM4EAOC3
SCHEMBL10822488 1.00 PTGER4 (0.38) PTGER4HDAC4HDAC6KDM4EAOC3
SCHEMBL10822490 1.00 PTGER4 (0.38) PTGER4HDAC4HDAC6KDM4EAOC3
SCHEMBL10822486 1.00 PTGER4 (0.38) PTGER4HDAC4HDAC6KDM4EAOC3
SCHEMBL10822402 0.86 AOC3 (0.41) PTGER4HDAC4HDAC6KDM4EAOC3
SCHEMBL10822404 0.86 AOC3 (0.41) PTGER4HDAC4HDAC6KDM4EAOC3
SCHEMBL10822422 0.83 HDAC6 (0.36) PTGER4HDAC4HDAC6KDM4EAOC3
SCHEMBL10822331 0.83 HDAC6 (0.36) PTGER4HDAC4HDAC6KDM4EAOC3
SCHEMBL10727779 0.81 ADRB3 (0.44) HDAC4HDAC6KDM4EALDH1A1SMN1; SMN2
SCHEMBL10727788 0.81 ADRB3 (0.44) HDAC4HDAC6KDM4EALDH1A1SMN1; SMN2

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-4585796-A HYPOGLYCEMIC, ANTI-OBESITY HOFFMANN-LA ROCHE INC. (US) 1986-04-29 US disclosed