SCHEMBL8983584

SCHEMBL8983584

CCOC(=O)C(Cc1ccc(-c2nc3ccccc3o2)cc1)N=C(c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.48
HPGD P15428 4/20 0.48
HSD17B10 Q99714 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 3/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 2/20 0.48
TP53 P04637 3/20 0.45
RXFP1 Q9HBX9 1/20 0.44
CEPT1 Q9Y6K0 1/20 0.44
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.43
STAT3 P40763 1/20 0.43
KMT2A Q03164 1/20 0.43
PTPN2 P17706 1/20 0.42
PTPN1 P18031 1/20 0.42
PTPN5 P54829 1/20 0.42

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
SCHEMBL28584476 0.82 PPARG (0.45) NPC1MEN1KMT2A
Hydrochloric Acid SCHEMBL8983459 0.79 NPC1 (0.53) MAPTHPGDHSD17B10SMN1; SMN2ALDH1A1
SCHEMBL7222441 0.78 PPARG (0.43) MAPTHPGDALDH1A1KDM4ENPC1
SCHEMBL7444988 0.77 AAK1 (0.39) NPC1MEN1KMT2A
SCHEMBL7364949 0.77 AAK1 (0.39) NPC1MEN1KMT2A
SCHEMBL5151578 0.76 CES2 (0.44) MAPTSMN1; SMN2ALDH1A1NPC1TP53
SCHEMBL7400423 0.76 CES2 (0.44) MAPTSMN1; SMN2ALDH1A1NPC1TP53
SCHEMBL8983419 0.76 MAPT (0.47) MAPTHPGDHSD17B10SMN1; SMN2ALDH1A1
SCHEMBL8983410 0.76 MAPT (0.47) MAPTHPGDHSD17B10SMN1; SMN2ALDH1A1
SCHEMBL5310601 0.74 AAK1 (0.46) MAPTSMN1; SMN2ALDH1A1NPC1RAB9A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5561143-A ANTICHOLESTEROL AGENTS, ANTILIPEMIC AGENTS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1996-10-01 US disclosed
US-5534532-A ANTICHOLESTEROL AGENTS, SQUALENE SYNTHASE INHIBITOR RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1996-07-09 US disclosed
US-5455260-A Anticholesterol agents; reduction of serum cholesterol without reducing mevalonic metabolite synthesis; side effect RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1995-10-03 US disclosed
WO-1994027601-A1 ALIPHATIC AMINO BIS-ARYL SQUALENE SYNTHASE INHIBITORS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1994-12-08 WO disclosed