SCHEMBL5459938

SCHEMBL5459938

Cc1cccc(-c2c(O)ccc(-c3ccccc3)c2O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.53
CNR1 P21554 3/20 0.53
ACLY P53396 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.45
BACE1 P56817 1/20 0.45
PDE4B Q07343 3/20 0.45
PDE4A P27815 2/20 0.45
PDE4C Q08493 2/20 0.45
PDE4D Q08499 2/20 0.45
ESR2 Q92731 1/20 0.44
ALOX5 P09917 1/20 0.44
ALOX15 P16050 1/20 0.43
ALOX12 P18054 1/20 0.43
AKR1C2 P52895 2/20 0.41
AKR1C3 P42330 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL28935007 0.84 CNR2 (0.54) CNR2CNR1ACLYL3MBTL1BACE1
SCHEMBL5462846 0.83 ACLY (0.51) ACLYNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL1535884 0.81 BACE1 (0.54) BACE1PDE4BPDE4APDE4CPDE4D
SCHEMBL9742743 0.80 ALOX15 (0.52) CNR2CNR1ACLYL3MBTL1ALOX15
SCHEMBL29586642 0.79 L3MBTL1 (0.53) CNR2CNR1ACLYL3MBTL1ESR2
SCHEMBL4954510 0.79 CA12 (0.52) CNR2CNR1ACLYL3MBTL1ALOX15
SCHEMBL28342236 0.77 ALOX5 (0.50) BACE1PDE4BPDE4APDE4CPDE4D
SCHEMBL5708395 0.76 CNR2 (0.47) CNR2CNR1L3MBTL1AKR1C2AKR1C3
SCHEMBL28077327 0.76 CNR2 (0.46) CNR2CNR1ACLYTSHRMEN1
SCHEMBL3356056 0.75 ALOX5 (0.61) CNR2CNR1L3MBTL1BACE1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE39663-E1 Electron-deficient nitrogen heterocycle-substituted fluorescein dyes APPLERA CORPORATION (US) 2007-05-29 US disclosed
EP-1196640-B1 ELECTRON-DEFICIENT NITROGEN HETEROCYCLE-SUBSTITUTED FLUORESCEIN DYES APPLERA CORP (US) 2004-02-04 EP disclosed
EP-1196640-A2 ELECTRON-DEFICIENT NITROGEN HETEROCYCLE-SUBSTITUTED FLUORESCEIN DYES Applera Corporation (US) 2002-04-17 EP disclosed
WO-2001057264-A2 ELECTRON-DEFICIENT NITROGEN HETEROCYCLE-SUBSTITUTED FLUORESCEIN DYES APPLERA CORPORATION (US) 2001-08-09 WO disclosed
US-6221604-B1 CONJUGATED TO SUBSTRATES SUCH AS NUCLEOSIDES OR NUCLEOTIDES AND USED AS DETECTION LABELS IN MOLECULAR BIOLOGY EXPERIMENTS; ENERGY TRANSFER DYE PE CORPORATION 2001-04-24 US disclosed