SCHEMBL12371412

SCHEMBL12371412

Cc1c(-c2ccc(OCCO)c(OCCO)c2)oc2cc(OCCO)cc(O)c2c1=O

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ACE2 Q9BYF1 2/20 0.69
▸ ADORA3 P0DMS8 2/20 0.55
▸ PTGS1 P23219 1/20 0.55
▸ POLH Q9Y253 3/20 0.55
▸ ABCG2 Q9UNQ0 3/20 0.52
▸ ABCB1 P08183 2/20 0.52
▸ ABCC1 P33527 2/20 0.52
▸ BCL9 O00512 3/20 0.50
▸ CTNNB1 P35222 3/20 0.50
▸ DPP4 P27487 1/20 0.50
▸ XDH P47989 1/20 0.50
▸ ALOX5 P09917 1/20 0.47

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
SCHEMBL29369818 0.89 ACE2 (0.69) ACE2ADORA3PTGS1BCL9CTNNB1
SCHEMBL13445534 0.89 ACE2 (0.69) ACE2ADORA3PTGS1BCL9CTNNB1
SCHEMBL13707581 0.87 ACE2 (0.76) ACE2ADORA3PTGS1POLHABCG2
SCHEMBL14370202 0.85 ACE2 (0.64) ACE2ADORA3PTGS1POLHABCG2
SCHEMBL14594144 0.84 ACE2 (0.83) ACE2ADORA3PTGS1POLHABCG2
SCHEMBL17656830 0.82 ACE2 (0.68) ACE2ADORA3PTGS1POLHABCG2
SCHEMBL15918780 0.82 ACE2 (0.74) ACE2POLHABCB1BCL9CTNNB1
SCHEMBL14254542 0.80 ABCB1 (0.60) ACE2ABCB1ABCC1XDH
SCHEMBL17620271 0.79 ACE2 (0.83) ACE2ADORA3PTGS1POLHABCG2
SCHEMBL17620379 0.79 ACE2 (0.94) ACE2ADORA3PTGS1POLHABCG2

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
US-8003688-B2 Method of treating symptoms of common cold, allergic rhinitis and infections relating to the respiratory tract IMMUPHARM APS (DK) 2011-08-23 — — US disclosed
US-7671086-B2 Pharmaceutical compositions comprising flavonoids and menthol IMMUPHARM A/S (DK) 2010-03-02 — — US disclosed
US-7585890-B2 Pharmaceutical compositions comprising flavonoids and menthol IMMUNPHARM A/S (DK) 2009-09-08 — — US disclosed
US-7166640-B2 Method of treating symptoms of common cold, allergic rhinitis and infections relating to the respiratory tract IMMUPHARM APS (DK) 2007-01-23 — — US disclosed
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