SCHEMBL933449

SCHEMBL933449

C=CCOC(C=O)c1cc(Br)ccc1F

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
LMNA P02545 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL932913 0.82 HPGD (0.42) ALDH1A1HPGDMAPK1LMNAKDM4E
SCHEMBL27854286 0.78 ALDH1A1 (0.32) ALDH1A1HPGDMAPK1LMNAKDM4E
SCHEMBL16465962 0.74 MAOB (0.37) ALDH1A1MEN1HTTKMT2A
SCHEMBL17604471 0.71 PYCR1 (0.33) LMNAMEN1KMT2A
SCHEMBL27854282 0.71 KDM4E (0.34) ALDH1A1HPGDMAPK1LMNAKDM4E
SCHEMBL15923004 0.70 DGAT1 (0.35) ALDH1A1LMNAKMT2A
SCHEMBL17604466 0.70 DGAT1 (0.35) ALDH1A1LMNAKMT2A
SCHEMBL1711933 0.69 SLC6A2 (0.35) ALDH1A1MEN1KMT2A
SCHEMBL28801600 0.69 DGAT1 (0.34) ALDH1A1LMNAKDM4EHSD17B10MEN1
SCHEMBL27697292 0.68 APLNR (0.38) ALDH1A1LMNAKDM4EMEN1KMT2A

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
EP-3010925-A1 BACE INHIBITORS Eli Lilly & Company (US) 2016-04-27 EP disclosed
WO-2014204730-A1 BACE INHIBITORS ELI LILLY AND COMPANY (US) 2014-12-24 WO disclosed
EP-2451793-A1 BACE INHIBITORS Eli Lilly and Company (US) 2012-05-16 EP disclosed
WO-2011005738-A1 BACE INHIBITORS ELI LILLY AND COMPANY (US) 2011-01-13 WO disclosed