SCHEMBL6210554

SCHEMBL6210554

O=C(CO)c1ccc(OC2CCCCO2)cc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
LMNA P02545 1/20 0.40
PDE4B Q07343 1/20 0.40
HRH3 Q9Y5N1 1/20 0.38
PTPN1 P18031 1/20 0.38
PARP10 Q53GL7 1/20 0.38
HPGD P15428 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
DHFR P00374 1/20 0.36

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
SCHEMBL5722254 0.87 MEN1 (0.50) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL862849 0.87 MEN1 (0.50) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL9860211 0.86 MEN1 (0.49) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL1186911 0.85 MEN1 (0.52) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL4017798 0.85 MEN1 (0.48) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL9637065 0.84 DHFR (0.45) MEN1KMT2ASMN1; SMN2RAB9APDE4B
SCHEMBL225085 0.84 KMT2A (0.65) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL10204748 0.83 MEN1 (0.45) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL863077 0.83 MEN1 (0.52) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL6202908 0.83 MEN1 (0.49) MEN1KMT2ASMN1; SMN2NPC1RAB9A

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
EP-1032568-B1 PROCESS FOR THE PREPARATION OF ISOFLAVONES UNIV MICHIGAN STATE (US) 2005-01-26 EP disclosed
EP-1032568-A4 PROCESS FOR THE PREPARATION OF ISOFLAVONES UNIV MICHIGAN STATE (US) 2003-03-05 EP disclosed
EP-1032568-A1 PROCESS FOR THE PREPARATION OF ISOFLAVONES MICHIGAN STATE UNIVERSITY (US) 2000-09-06 EP disclosed
WO-2000015627-A1 PROCESS FOR THE PREPARATION OF ISOFLAVONES MICHIGAN STATE UNIVERSITY (US) 2000-03-23 WO disclosed
US-5981775-A FROM A 2'-HYDROXYDEOXYBENZOIN USING PREPARED N,N'-DIMETHYL(CHLOROMETHYLENE)AMMONIUM CHLORIDE AS A REACTANT IN BORONTRIFLUORIDE ETHERATE OR OTHER LEWIS ACID AS A SOLVENT BOARD OF TRUSTEES OPERATING MICHIGAN STATE UNIVERSITY (US) 1999-11-09 US disclosed