SCHEMBL7785701

SCHEMBL7785701

CC(C)Oc1ccc(C(NC(C)c2cc(F)cc(F)c2)c2cccc([N+](=O)[O-])c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.39
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAPT P10636 6/20 0.38
MEN1 O00255 6/20 0.38
KMT2A Q03164 6/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
HTT P42858 2/20 0.38
ALDH1A1 P00352 1/20 0.37
HCRTR1 O43613 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
HPGD P15428 1/20 0.36
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
HTR2A P28223 1/20 0.34

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
SCHEMBL7780564 0.90 MAPK1 (0.46) LMNAMAPK1NPSR1MAPTMEN1
SCHEMBL7785152 0.90 MAPK1 (0.46) LMNAMAPK1NPSR1MAPTMEN1
SCHEMBL27533527 0.89 MEN1 (0.40) LMNAMAPTMEN1KMT2ANPC1
SCHEMBL7787532 0.89 MEN1 (0.40) LMNAMAPTMEN1KMT2ANPC1
SCHEMBL7785576 0.88 CRHBP (0.44) LMNAMEN1KMT2AHTTALDH1A1
SCHEMBL7785105 0.88 CRHBP (0.44) LMNAMEN1KMT2AHTTALDH1A1
SCHEMBL7787458 0.88 LMNA (0.45) LMNANPSR1MAPTMEN1KMT2A
SCHEMBL27540162 0.87 HTT (0.46) LMNAMAPTMEN1KMT2AHTT
SCHEMBL7780592 0.87 HTT (0.46) LMNAMAPTMEN1KMT2AHTT
SCHEMBL7780374 0.86 MEN1 (0.42) LMNAMAPK1MAPTMEN1KMT2A

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