SCHEMBL8656175

SCHEMBL8656175

O=C(CCCCCNC(=O)c1cc(OCc2ccccc2)ccc1OCc1ccccc1)NCCO

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.57
HDAC2 Q92769 4/20 0.57
HDAC3 O15379 3/20 0.57
HDAC10 Q969S8 3/20 0.57
HDAC11 Q96DB2 3/20 0.57
HDAC8 Q9BY41 3/20 0.57
HDAC6 Q9UBN7 3/20 0.57
HDAC4 P56524 2/20 0.57
HDAC7 Q8WUI4 2/20 0.57
HDAC9 Q9UKV0 2/20 0.57
HDAC5 Q9UQL6 2/20 0.57
SPHK2 Q9NRA0 1/20 0.53
SPHK1 Q9NYA1 1/20 0.53
MTNR1A P48039 2/20 0.49
HTT P42858 2/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL8656384 0.91 HDAC1 (0.56) HDAC1HDAC2HDAC3HDAC10HDAC11
SCHEMBL8656450 0.91 HTT (0.57) HDAC1HDAC2HDAC3HDAC10HDAC11
SCHEMBL6666125 0.90 HDAC1 (0.71) HDAC1HDAC2HDAC3HDAC10HDAC11
SCHEMBL8891107 0.89 NPC1 (0.54) HDAC1HDAC2HDAC3HDAC10HDAC11
SCHEMBL8658543 0.88 ALDH1A1 (0.58) HDAC1HDAC2HDAC3HDAC10HDAC11
SCHEMBL8659610 0.88 ALDH1A1 (0.58) HDAC1HDAC2HDAC3HDAC10HDAC11
SCHEMBL8656388 0.88 ALDH1A1 (0.58) HDAC1HDAC2HDAC3HDAC10HDAC11
SCHEMBL9362032 0.87 HDAC1 (0.55) HDAC1HDAC2HDAC3HDAC10HDAC11
SCHEMBL8659682 0.86 HDAC1 (0.54) HDAC1HDAC2HDAC3HDAC10HDAC11
SCHEMBL8656058 0.85 HDAC1 (0.53) HDAC1HDAC2HDAC3HDAC10HDAC11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5854250-A N-benzoylamino acid derivatives, pharmaceutical compositions containing them and process of preparing same GYOGYSZERKUTATO INTEZET KFT (HU) 1998-12-29 US disclosed
US-5705529-A ANTIISCHEMIC AGENTS, ANTIINFLAMMATORY AGENTS, AGING RESISTANCE, ATHERIOSCLEROSIS, NERVOUS SYSTEM DISORDERS GYOGYSZERKUTATO INTEZET KFT (HK) 1998-01-06 US disclosed
EP-0576941-B1 N-benzoylamino acid derivatives, pharmaceutical compositions containing them and process for preparing same NISSHIN FLOUR MILLING CO (JP) 1997-09-03 EP disclosed
EP-0576941-A1 N-benzoylamino acid derivatives, pharmaceutical compositions containing them and process for preparing same NISSHIN FLOUR MILLING CO., LTD. (JP) 1994-01-05 EP disclosed