SCHEMBL7119145

SCHEMBL7119145

CCOP(=O)(OCC)C(Nc1cccnc1)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 2/20 0.46
LMNA P02545 4/20 0.44
NPSR1 Q6W5P4 3/20 0.44
GAA P10253 3/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 1/20 0.42
MAPT P10636 3/20 0.42
FDPS P14324 1/20 0.41
ALOX5 P09917 1/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
TDP1 Q9NUW8 2/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
HSP90AA1 P07900 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
MC4R P32245 1/20 0.40

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
SCHEMBL8003353 0.84 HMGCR (0.47) HMGCRLMNANPSR1GAAMEN1
SCHEMBL8973534 0.81 CA12 (0.56) HMGCRKDM4EMAPTPTPN2PTPN1
SCHEMBL8766175 0.80 CA12 (0.57) HMGCRNPSR1GAAKDM4ETDP1
SCHEMBL8143870 0.79 ALOX5 (0.42) LMNANPSR1MEN1KMT2AMAPT
SCHEMBL9403099 0.77 HMGCR (0.45) HMGCRLMNANPSR1GAAMEN1
SCHEMBL8011719 0.77 HMGCR (0.51) HMGCRLMNANPSR1GAAMEN1
SCHEMBL7124088 0.75 HMGCR (0.47) HMGCRLMNANPSR1GAAMEN1
SCHEMBL5366533 0.74 FDPS (0.59) LMNANPSR1MAPTFDPSALDH1A1
SCHEMBL8015604 0.74 GAA (0.48) HMGCRNPSR1GAAMEN1KMT2A
SCHEMBL6290630 0.73 FDPS (0.37) LMNAKMT2AKDM4EFDPSALDH1A1

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
EP-0835116-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SYMPHAR S.A. (CH) 1998-04-15 EP claimed
WO-1997002037-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SYMPHAR S.A. (CH) 1997-01-23 WO claimed
US-6660724-B1 Aminophosphonates alpha substituted by phenol; lipoprotein lowering activity ILEX PRODUCTS, INC. 2003-12-09 US disclosed
US-6060464-A Compounds and pharmaceutical compositions containing them SMITHKLINE BEECHAM P.L.C. (GB) 2000-05-09 US disclosed
EP-0835116-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SYMPHAR S.A. (CH) 1998-04-15 EP disclosed
WO-1997002037-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SYMPHAR S.A. (CH) 1997-01-23 WO disclosed