SCHEMBL8656388

SCHEMBL8656388

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.58
HDAC1 Q13547 2/20 0.56
HDAC2 Q92769 2/20 0.56
HDAC3 O15379 1/20 0.56
HDAC4 P56524 1/20 0.56
HDAC7 Q8WUI4 1/20 0.56
HDAC10 Q969S8 1/20 0.56
HDAC11 Q96DB2 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
HDAC9 Q9UKV0 1/20 0.56
HDAC5 Q9UQL6 1/20 0.56
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
MTNR1B P49286 2/20 0.50
PDE5A O76074 1/20 0.50
NR1H4 Q96RI1 2/20 0.49

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
SCHEMBL8658543 1.00 ALDH1A1 (0.58) ALDH1A1HDAC1HDAC2HDAC3HDAC4
SCHEMBL8659610 1.00 ALDH1A1 (0.58) ALDH1A1HDAC1HDAC2HDAC3HDAC4
SCHEMBL8660104 0.95 MEN1 (0.55) ALDH1A1HDAC1HDAC2HDAC3HDAC4
SCHEMBL9362032 0.92 HDAC1 (0.55) ALDH1A1HDAC1HDAC2HDAC3HDAC4
SCHEMBL8659682 0.91 HDAC1 (0.54) ALDH1A1HDAC1HDAC2HDAC3HDAC4
SCHEMBL8656058 0.90 HDAC1 (0.53) ALDH1A1HDAC1HDAC2HDAC3HDAC4
SCHEMBL6666125 0.90 HDAC1 (0.71) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL8891107 0.90 NPC1 (0.54) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL8891232 0.89 KMT2A (0.53) ALDH1A1HDAC1HDAC2HDAC3HDAC4
SCHEMBL8656175 0.88 HDAC1 (0.57) ALDH1A1HDAC1HDAC2HDAC3HDAC4

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 5 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
WO-1997014685-A1 PYRIMIDINE DERIVATIVES GYÓGYSZERKUTATÓ INTÉZET KFT (HU) 1997-04-24 WO 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