SCHEMBL7981719

SCHEMBL7981719

COC(=O)c1ccccc1OCCCCl

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.62
HSP90AA1 P07900 2/20 0.62
HTT P42858 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62
ALDH1A1 P00352 5/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
CYP1A2 P05177 1/20 0.58
CYP2C9 P11712 1/20 0.58
HPGD P15428 1/20 0.58
CYP2C19 P33261 1/20 0.58
KDM4E B2RXH2 3/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
GAA P10253 1/20 0.56
LMNA P02545 4/20 0.54
SLC6A3 Q01959 3/20 0.53
TSHR P16473 2/20 0.50
NR1I2 O75469 1/20 0.49
CHRM2 P08172 1/20 0.49
CYP3A4 P08684 1/20 0.49

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
SCHEMBL4051431 0.93 HSP90AA1 (0.58) MAPTHSP90AA1HTTNPSR1ALDH1A1
SCHEMBL28136228 0.88 SLC6A3 (0.57) MAPTHSP90AA1HTTNPSR1ALDH1A1
SCHEMBL7956581 0.87 MAPT (0.62) MAPTHSP90AA1HTTNPSR1ALDH1A1
SCHEMBL19973714 0.87 MAPT (0.62) MAPTHSP90AA1HTTNPSR1ALDH1A1
SCHEMBL6770205 0.85 MAPT (0.68) MAPTHSP90AA1HTTNPSR1ALDH1A1
SCHEMBL6043498 0.85 MAPT (0.60) MAPTHSP90AA1HTTNPSR1ALDH1A1
SCHEMBL7956804 0.85 MAPT (0.60) MAPTHSP90AA1HTTNPSR1ALDH1A1
Benzene SCHEMBL28006415 0.85 MAPT (0.60) MAPTHSP90AA1HTTNPSR1ALDH1A1
SCHEMBL385973 0.85 HSP90AA1 (0.59) MAPTHSP90AA1HTTNPSR1ALDH1A1
SCHEMBL536427 0.85 MAPT (0.59) MAPTHSP90AA1HTTNPSR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6235731-B1 REDUCING BLOOD LIPIDS, SUGARS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-22 US disclosed
CN-1223659-A Fused imidazopyridine derivatives as antihyperlipidemic agents TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1999-07-21 CN disclosed
EP-0915888-A1 FUSED IMIDAZOPYRIDINE DERIVATIVES AS ANTIHYPERLIPIDEMIC AGENTS Takeda Chemical Industries, Ltd. (JP) 1999-05-19 EP disclosed
WO-1997040051-A1 FUSED IMIDAZOPYRIDINE DERIVATIVES AS ANTIHYPERLIPIDEMIC AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-10-30 WO disclosed
EP-0673247-A4 FIBRINOGEN RECEPTOR ANTAGONISTS. MERCK & CO INC (US) 1996-05-01 EP disclosed
EP-0673247-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO. INC. (US) 1995-09-27 EP disclosed