SCHEMBL4416083

SCHEMBL4416083

O=C(NCC(O)C(O)c1cccc(/C=C/C2(O)CCCCC2)c1)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
ATM Q13315 1/20 0.30
BACE1 P56817 1/20 0.30

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
SCHEMBL613238 1.00 SLC6A2 (0.30) SLC6A2SLC6A4ATMBACE1
SCHEMBL611458 1.00 SLC6A2 (0.30) SLC6A2SLC6A4ATMBACE1
SCHEMBL8806529 1.00 SLC6A2 (0.30) SLC6A2SLC6A4ATMBACE1
SCHEMBL612895 1.00 SLC6A2 (0.30) SLC6A2SLC6A4ATMBACE1
SCHEMBL611459 1.00 SLC6A2 (0.30) SLC6A2SLC6A4ATMBACE1
SCHEMBL612894 1.00 SLC6A2 (0.30) SLC6A2SLC6A4ATMBACE1
SCHEMBL613239 1.00 SLC6A2 (0.30) SLC6A2SLC6A4ATMBACE1
SCHEMBL15478443 0.84 MTNR1A (0.32) SLC6A2SLC6A4ATM
SCHEMBL3134859 0.82 ITGB1 (0.32)
SCHEMBL2150600 0.82 MTNR1A (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2076124-A2 STYRENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS Acucela, Inc. (US) 2009-07-08 EP disclosed
WO-2008131368-A2 STYRENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2008-10-30 WO disclosed