SCHEMBL10822682

SCHEMBL10822682

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.44
ALDH1A1 P00352 3/20 0.42
LMNA P02545 2/20 0.42
PRNP P04156 1/20 0.42
RECQL P46063 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
HPGD P15428 5/20 0.41
AOC3 Q16853 2/20 0.40
HDAC4 P56524 2/20 0.39
KMT2A Q03164 4/20 0.38
KDM4E B2RXH2 3/20 0.38
MEN1 O00255 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.36
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
USP2 O75604 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 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
SCHEMBL10822691 1.00 HDAC6 (0.44) HDAC6ALDH1A1LMNAPRNPRECQL
SCHEMBL10822884 0.89 AOC3 (0.43) HDAC6ALDH1A1HPGDAOC3HDAC4
SCHEMBL10822878 0.89 AOC3 (0.43) HDAC6ALDH1A1HPGDAOC3HDAC4
SCHEMBL10822546 0.87 HDAC6 (0.38) HDAC6ALDH1A1LMNAPRNPRECQL
SCHEMBL10822385 0.87 HDAC6 (0.38) HDAC6ALDH1A1LMNAPRNPRECQL
SCHEMBL9787389 0.78 ALDH1A1 (0.39) HDAC6ALDH1A1LMNAPRNPRECQL
SCHEMBL9787394 0.78 ALDH1A1 (0.39) HDAC6ALDH1A1LMNAPRNPRECQL
SCHEMBL10725392 0.78 ADRB1 (0.53) HDAC6HDAC4RAB9ANPC1
SCHEMBL10725396 0.78 ADRB1 (0.53) HDAC6HDAC4RAB9ANPC1
SCHEMBL10725403 0.78 ADRB1 (0.53) HDAC6HDAC4RAB9ANPC1

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