SCHEMBL101623

SCHEMBL101623

O=C(O)Nc1cc(CCCCC(=O)Nc2ccc(CO)cc2)ccc1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 9/20 0.48
HDAC1 Q13547 8/20 0.48
HDAC3 O15379 6/20 0.48
HDAC4 P56524 6/20 0.48
HDAC7 Q8WUI4 6/20 0.48
HDAC10 Q969S8 6/20 0.48
HDAC11 Q96DB2 6/20 0.48
HDAC8 Q9BY41 6/20 0.48
HDAC6 Q9UBN7 6/20 0.48
HDAC9 Q9UKV0 6/20 0.48
HDAC5 Q9UQL6 6/20 0.48
TRPV1 Q8NER1 1/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAPT P10636 1/20 0.47
TSHR P16473 1/20 0.47
MAPKAPK2 P49137 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL101223 0.97 HDAC1 (0.51) HDAC2HDAC1HDAC3HDAC4HDAC7
SCHEMBL98704 0.92 AKR1C3 (0.51) HDAC2HDAC1HDAC3HDAC4HDAC7
SCHEMBL15823927 0.87 ALDH1A1 (0.45) HDAC2HDAC1HDAC3HDAC4HDAC7
SCHEMBL99035 0.87 HDAC1 (0.51) HDAC2HDAC1HDAC3HDAC4HDAC7
SCHEMBL99412 0.87 HCAR2 (0.47) HDAC2HDAC1HDAC3HDAC4HDAC7
SCHEMBL15822177 0.86 HDAC1 (0.47) HDAC2HDAC1HDAC3HDAC4HDAC7
SCHEMBL101227 0.84 NPC1 (0.45) HDAC2HDAC1HDAC3HDAC4HDAC7
SCHEMBL15822069 0.83 HDAC1 (0.44) HDAC2HDAC1HDAC3HDAC4HDAC7
SCHEMBL99629 0.82 MAPT (0.50) HDAC2HDAC1HDAC3HDAC4HDAC7
SCHEMBL102437 0.82 RORC (0.48) HDAC2HDAC1HDAC3HDAC4HDAC7

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
EP-2426121-A1 QUATERNARY AMMONIUM SALT COMPOUND Teijin Pharma Limited (JP) 2012-03-07 EP claimed