SCHEMBL10822331

SCHEMBL10822331

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.36
HDAC4 P56524 1/20 0.36
AOC3 Q16853 2/20 0.35
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
PRNP P04156 1/20 0.34
RECQL P46063 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
KDM4E B2RXH2 4/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PTGER4 P35408 1/20 0.32
RXRA P19793 3/20 0.32
RXRB P28702 2/20 0.32
RXRG P48443 2/20 0.32
RARA P10276 2/20 0.32
HPGD P15428 1/20 0.32
POLB P06746 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL10822422 1.00 HDAC6 (0.36) HDAC6HDAC4AOC3ALDH1A1LMNA
SCHEMBL10822385 0.89 HDAC6 (0.38) HDAC6HDAC4AOC3ALDH1A1LMNA
SCHEMBL10822546 0.89 HDAC6 (0.38) HDAC6HDAC4AOC3ALDH1A1LMNA
SCHEMBL10822402 0.84 AOC3 (0.41) HDAC6HDAC4AOC3ALDH1A1LMNA
SCHEMBL10822404 0.84 AOC3 (0.41) HDAC6HDAC4AOC3ALDH1A1LMNA
SCHEMBL10822486 0.83 PTGER4 (0.38) HDAC6HDAC4AOC3ALDH1A1LMNA
SCHEMBL10822488 0.83 PTGER4 (0.38) HDAC6HDAC4AOC3ALDH1A1LMNA
SCHEMBL10822579 0.83 PTGER4 (0.38) HDAC6HDAC4AOC3ALDH1A1LMNA
SCHEMBL10822490 0.83 PTGER4 (0.38) HDAC6HDAC4AOC3ALDH1A1LMNA
SCHEMBL10822575 0.83 PTGER4 (0.38) HDAC6HDAC4AOC3ALDH1A1LMNA

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