SCHEMBL7785258

SCHEMBL7785258

COc1cccc(C(=O)c2cc([N+](=O)[O-])ccc2OC)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.54
HTT P42858 2/20 0.54
NPSR1 Q6W5P4 2/20 0.54
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
AHR P35869 1/20 0.53
GAA P10253 1/20 0.52
MAPK1 P28482 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
RAB9A P51151 1/20 0.52
ALDH1A1 P00352 5/20 0.51
LMNA P02545 3/20 0.51
TP53 P04637 1/20 0.51
POLB P06746 1/20 0.51
ELANE P08246 2/20 0.50
SETD7 Q8WTS6 1/20 0.49
F2 P00734 1/20 0.48
PLAU P00749 1/20 0.48
CTRB1 P17538 1/20 0.48
HPGD P15428 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
SCHEMBL9182030 0.90 MAPT (0.61) MAPTHTTNPSR1KMT2AMEN1
SCHEMBL7780381 0.85 NPSR1 (0.70) MAPTHTTNPSR1KMT2AMEN1
SCHEMBL7789143 0.84 MAPT (0.64) MAPTHTTKMT2AMEN1AHR
SCHEMBL31406950 0.83 RAB9A (0.59) MAPTHTTKMT2AMEN1GAA
SCHEMBL7785006 0.82 NPC1 (0.59) MAPTHTTNPSR1KMT2AMEN1
SCHEMBL7789011 0.80 SMN1; SMN2 (0.73) MAPTHTTKMT2AMEN1GAA
SCHEMBL7789000 0.79 HTT (0.54) MAPTHTTNPSR1KMT2AMEN1
SCHEMBL10419633 0.77 ALDH1A1 (0.64) MAPTHTTNPSR1KMT2AMEN1
SCHEMBL28590005 0.77 MEN1 (0.70) MAPTHTTKMT2AMEN1GAA
SCHEMBL3884099 0.76 TDP1 (0.58) MAPTHTTKMT2AMEN1MAPK1

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
US-6329405-B1 AS ILEAL BILE ACID TRANSPORTER INHIBITOR, FOR THERAPY OF HYPERLIPEMIA SANKYO COMPANY, LIMITED (JP) 2001-12-11 US disclosed
CN-1287117-A Cyclobutene derivatives, preparation method and therapeutic use thereof SANKYO CO (JP) 2001-03-14 CN disclosed
EP-1070703-A1 Cyclobutene derivatives Sankyo Company Limited (JP) 2001-01-24 EP disclosed