SCHEMBL7285707

SCHEMBL7285707

O=C(NCCCCl)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.70
HDAC1 Q13547 2/20 0.70
HDAC2 Q92769 2/20 0.70
HDAC4 P56524 1/20 0.70
HDAC7 Q8WUI4 1/20 0.70
HDAC10 Q969S8 1/20 0.70
HDAC11 Q96DB2 1/20 0.70
HDAC8 Q9BY41 1/20 0.70
HDAC6 Q9UBN7 1/20 0.70
HDAC9 Q9UKV0 1/20 0.70
HDAC5 Q9UQL6 1/20 0.70
SPHK2 Q9NRA0 2/20 0.61
SPHK1 Q9NYA1 1/20 0.61
NCOR2 Q9Y618 1/20 0.60
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
NR4A1 P22736 1/20 0.59
NR4A2 P43354 1/20 0.59
NR4A3 Q92570 1/20 0.59
NPC1 O15118 6/20 0.59

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
SCHEMBL7287723 0.93 NPC1 (0.67) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL18614948 0.89 HDAC3 (0.70) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL18614936 0.88 SPHK2 (0.69) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL6716502 0.86 MEN1 (0.79) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL7296744 0.86 SPHK2 (0.80) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL10289219 0.84 HDAC3 (0.78) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL748869 0.84 SPHK2 (0.81) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL7734896 0.84 HDAC6 (0.91) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL13380778 0.83 HPGD (0.65) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL25870996 0.82 NR4A1 (0.66) HDAC3HDAC1HDAC2HDAC4HDAC7

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0824098-B1 4-hydroxy-piperidine derivatives HOFFMANN LA ROCHE (CH) 2001-10-31 EP disclosed
US-5889026-A 4-hydroxy-piperodine derivatives HOFFMANN-LA ROCHE INC. (US) 1999-03-30 US disclosed
EP-0824098-A1 4-hydroxy-piperidine derivatives F. HOFFMANN-LA ROCHE AG (CH) 1998-02-18 EP disclosed