SCHEMBL5761665

SCHEMBL5761665

OCCc1ccc(OCc2coc(C=Cc3ccccc3)n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 2/20 0.49
MINK1 Q8N4C8 1/20 0.49
FFAR1 O14842 5/20 0.49
LTA4H P09960 1/20 0.42
EPHX2 P34913 1/20 0.42
PPARA Q07869 7/20 0.40
PPARG P37231 6/20 0.40
LCK P06239 1/20 0.40
AKR1B1 P15121 1/20 0.39
CYSLTR1 Q9Y271 2/20 0.38
CYSLTR2 Q9NS75 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37

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
SCHEMBL5761663 1.00 ERBB2 (0.49) ERBB2MINK1FFAR1LTA4HEPHX2
SCHEMBL5761322 0.93 ERBB2 (0.52) ERBB2MINK1FFAR1LTA4HEPHX2
SCHEMBL5761318 0.93 ERBB2 (0.52) ERBB2MINK1FFAR1LTA4HEPHX2
SCHEMBL5758039 0.92 ERBB2 (0.54) ERBB2MINK1FFAR1LTA4HEPHX2
SCHEMBL5758035 0.92 ERBB2 (0.54) ERBB2MINK1FFAR1LTA4HEPHX2
SCHEMBL5760527 0.91 ERBB2 (0.53) ERBB2MINK1FFAR1LTA4HEPHX2
SCHEMBL5760331 0.91 ERBB2 (0.53) ERBB2MINK1FFAR1LTA4HEPHX2
SCHEMBL5759709 0.91 ERBB2 (0.53) ERBB2MINK1FFAR1LTA4HEPHX2
SCHEMBL5759664 0.91 ERBB2 (0.53) ERBB2MINK1FFAR1LTA4HEPHX2
SCHEMBL5761141 0.88 ERBB2 (0.49) ERBB2MINK1FFAR1PPARAPPARG

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
EP-1270571-B1 Heterocyclic compounds, their production and use TAKEDA PHARMACEUTICAL (JP) 2006-09-06 EP disclosed
EP-1270571-A1 Heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-01-02 EP disclosed
US-6211215-B1 AROMATIC HETEROCYCLIC COMPOUND WITH AZOLE COMPOUND TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-04-03 US disclosed
EP-0912562-A1 HETEROCYCLIC COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1999-05-06 EP disclosed
WO-1998003505-A2 HETEROCYCLIC COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-01-29 WO disclosed