SCHEMBL2554529

SCHEMBL2554529

CC(C)COC(C)Cc1ccc(Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.52
SLC6A3 Q01959 1/20 0.52
SLC6A4 P31645 1/20 0.45
PPARG P37231 5/20 0.41
PPARA Q07869 5/20 0.41
MAOB P27338 1/20 0.38
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37
CNR1 P21554 4/20 0.36
CNR2 P34972 4/20 0.36
ACACB O00763 1/20 0.36
IDO1 P14902 1/20 0.36
AGXT P21549 1/20 0.36

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
SCHEMBL2557004 0.82 SLC6A2 (0.53) SLC6A2SLC6A3SLC6A4PPARGPPARA
SCHEMBL2608871 0.82 SIGMAR1 (0.50) SLC6A2SLC6A3SLC6A4
SCHEMBL9248992 0.79 SLC6A2 (0.59) SLC6A2SLC6A3SLC6A4PPARGPPARA
SCHEMBL12288693 0.79 SLC6A2 (0.46) SLC6A2SLC6A3SLC6A4PPARGPPARA
SCHEMBL2551854 0.79 SLC6A2 (0.46) SLC6A2SLC6A3SLC6A4PPARGPPARA
SCHEMBL764989 0.77 SLC6A2 (0.67) SLC6A2SLC6A3SLC6A4IDO1
SCHEMBL18528984 0.76 SLC6A2 (0.61) SLC6A2SLC6A3SLC6A4PPARGPPARA
SCHEMBL2554262 0.76 SLC6A2 (0.55) SLC6A2SLC6A3SLC6A4PPARGPPARA
SCHEMBL2557131 0.75 PPARA (0.48) SLC6A2SLC6A3PPARGPPARA
SCHEMBL15899295 0.74 ACACB (0.44) PPARAACACB

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-2555623-A1 FLAVIN DERIVATIVES BioRelix, Inc. (US) 2013-02-13 EP disclosed
WO-2011126567-A1 FLAVIN DERIVATIVES BIORELIX, INC. (US) 2011-10-13 WO disclosed