SCHEMBL8660104

SCHEMBL8660104

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
HIF1A Q16665 1/20 0.54
HTT P42858 1/20 0.52
ALDH1A1 P00352 1/20 0.52
MTNR1B P49286 2/20 0.52
SGMS2 Q8NHU3 1/20 0.51
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50

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
SCHEMBL8656388 0.95 ALDH1A1 (0.58) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL8659610 0.95 ALDH1A1 (0.58) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL8658543 0.95 ALDH1A1 (0.58) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL9365374 0.92 KMT2A (0.54) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL8656377 0.89 LTA4H (0.52) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL9362032 0.87 HDAC1 (0.55) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL8891107 0.87 NPC1 (0.54) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL8659682 0.86 HDAC1 (0.54) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL8891232 0.86 KMT2A (0.53) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL6666125 0.85 HDAC1 (0.71) MEN1KMT2ANPC1RAB9ASMN1; SMN2

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
JP-6239822-A None JP 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
JP-H06239822-A NEW N-BENZOYLAMINO ACID DERIVATIVE, MEDICINAL COMPOSITION COMPRISING THE SAME COMPOUND AND PRODUCTION OF THE SAME COMPOUND NISSHIN FLOUR MILLING CO LTD 1994-08-30 JP 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