SCHEMBL6178502

SCHEMBL6178502

CCOC(=O)c1cccc2c(=O)cc(-c3ccc(OCc4ncc5ccccc5n4)cc3)oc12

nearest known ligand 0.80

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 12/20 0.80
TNKS O95271 1/20 0.45
CYP1A1 P04798 1/20 0.42
CYP1A2 P05177 1/20 0.42
ABCB1 P08183 1/20 0.42
ABCC1 P33527 1/20 0.42
CYP1B1 Q16678 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALOX5 P09917 1/20 0.40
MAOB P27338 1/20 0.40

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
SCHEMBL6177588 0.89 CYSLTR1 (1.00) CYSLTR1CYP1A1CYP1A2ABCB1ABCC1
SCHEMBL6175634 0.87 CYSLTR1 (0.79) CYSLTR1
SCHEMBL6176117 0.84 CYSLTR1 (0.58) CYSLTR1TNKSCYP1A1CYP1A2ABCB1
SCHEMBL6174892 0.83 CYSLTR1 (0.81) CYSLTR1KDM4EMAOB
SCHEMBL6176722 0.83 CYSLTR1 (0.57) CYSLTR1TNKSCYP1A1CYP1A2ABCB1
SCHEMBL6178507 0.80 CYSLTR1 (0.52) CYSLTR1TNKSCYP1A1CYP1A2ABCB1
SCHEMBL6175860 0.80 CYSLTR1 (0.80) CYSLTR1
SCHEMBL6177041 0.79 TNKS (0.57) CYSLTR1TNKSCYP1A1CYP1A2CYP1B1
SCHEMBL8874138 0.79 CYSLTR1 (0.59) CYSLTR1TNKSCYP1A1CYP1A2ABCB1
SCHEMBL6176125 0.76 CYSLTR1 (1.00) CYSLTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0834510-B1 Flavone derivative and medicine comprising the same KOWA CO (JP) 2005-02-23 EP disclosed
US-6136848-A ANTIALLERGENS; ASTHMA THERAPY KOWA CO., LTD. (JP) 2000-10-24 US disclosed
EP-0834510-A2 Flavone derivative and medicine comprising the same KOWA CO. LTD. (JP) 1998-04-08 EP disclosed