SCHEMBL6179898

SCHEMBL6179898

O=C(O)c1cccc2c(=O)cc(-c3ccc(OCc4ccc5ccccc5c4)cc3)oc12

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 11/20 0.73
CYP1A1 P04798 5/20 0.49
CYP1B1 Q16678 5/20 0.49
CYP1A2 P05177 4/20 0.49
ABCB1 P08183 2/20 0.49
ABCC1 P33527 2/20 0.49
ABCG2 Q9UNQ0 2/20 0.49
PSMD14 O00487 1/20 0.49
CSNK2A2 P19784 1/20 0.49
CSNK2B P67870 1/20 0.49
CSNK2A1 P68400 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
KDM4E B2RXH2 1/20 0.47
PDE5A O76074 1/20 0.47
ALDH1A1 P00352 1/20 0.47
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
MAPT P10636 1/20 0.47
CYP19A1 P11511 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
SCHEMBL6174522 0.91 CYSLTR1 (0.73) CYSLTR1CYP1A1CYP1B1CYP1A2ABCB1
SCHEMBL6176117 0.88 CYSLTR1 (0.58) CYSLTR1CYP1A1CYP1B1CYP1A2ABCB1
SCHEMBL6176125 0.85 CYSLTR1 (1.00) CYSLTR1
SCHEMBL6177588 0.82 CYSLTR1 (1.00) CYSLTR1CYP1A1CYP1B1CYP1A2ABCB1
SCHEMBL24533170 0.82 CYSLTR1 (0.73) CYSLTR1CYP1A1CYP1B1CYP1A2ABCB1
SCHEMBL6175024 0.81 CYSLTR1 (0.71) CYSLTR1CYP1A1CYP1B1CYP1A2ABCB1
SCHEMBL6176758 0.80 CYSLTR1 (0.75) CYSLTR1
SCHEMBL6176722 0.79 CYSLTR1 (0.57) CYSLTR1CYP1A1CYP1B1CYP1A2ABCB1
SCHEMBL1516397 0.79 CYSLTR1 (0.78) CYSLTR1CYP1A1CYP1B1CYP1A2ABCB1
SCHEMBL10994445 0.78 CYSLTR1 (0.78) CYSLTR1CYP1A1CYP1B1CYP1A2ABCB1

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