SCHEMBL8809137

SCHEMBL8809137

COc1cc2c(cc1OC)CN(CCCCc1ccc(NC(=O)c3cccc(C(=O)c4ccccc4OC)c3)cc1)CC2

nearest known ligand 0.70

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 19/20 0.70
ABCB1 P08183 18/20 0.70

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
SCHEMBL8806791 0.93 ABCB1 (0.76) ABCG2ABCB1
SCHEMBL8807182 0.90 ABCB1 (0.66) ABCG2ABCB1
SCHEMBL8807897 0.89 ABCB1 (0.68) ABCG2ABCB1
SCHEMBL8806779 0.89 ABCG2 (0.67) ABCG2ABCB1
SCHEMBL8806877 0.87 ABCG2 (0.70) ABCG2ABCB1
SCHEMBL8809502 0.87 ABCB1 (0.86) ABCG2ABCB1
SCHEMBL8808019 0.85 ABCB1 (0.62) ABCG2ABCB1
SCHEMBL8814681 0.85 ABCG2 (0.64) ABCG2ABCB1
SCHEMBL8808167 0.85 ABCG2 (0.88) ABCG2ABCB1
SCHEMBL8807537 0.84 ABCB1 (0.61) ABCG2ABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5663179-A CAN SENSITIZE MULTIDRUG RESISTANT CANCER CELLS TO CHEMOTHERAPEUTIC AGENTS LABORATOIRES GLAXO SA (FR) 1997-09-02 US disclosed
EP-0649410-B1 ANILIDE DERIVATIVES GLAXO LAB SA (FR) 1997-05-02 EP disclosed