SCHEMBL6579934

SCHEMBL6579934

CCCCc1ccc(C(=O)Nc2cccc(C(C)=O)c2O)cc1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 13/20 0.61
PLK3 Q9H4B4 7/20 0.61
TRPV1 Q8NER1 5/20 0.60
KDM4E B2RXH2 1/20 0.51
ABCG2 Q9UNQ0 1/20 0.50

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
SCHEMBL6581823 0.90 PLK1 (0.58) PLK1PLK3TRPV1KDM4EABCG2
SCHEMBL6577993 0.90 PLK1 (0.61) PLK1PLK3TRPV1ABCG2
SCHEMBL6580254 0.87 NR1H4 (0.53) PLK1PLK3TRPV1KDM4EABCG2
SCHEMBL6577703 0.84 PLK1 (0.64) PLK1
SCHEMBL28418450 0.81 PLK1 (0.60) PLK1
SCHEMBL6580460 0.81 NPC1 (0.48) KDM4E
SCHEMBL3415084 0.81 NR1H4 (0.62) PLK1PLK3
SCHEMBL1464667 0.81 PLK1 (0.90) PLK1PLK3TRPV1
SCHEMBL23657651 0.80 TRPV1 (0.68) PLK1PLK3TRPV1
SCHEMBL6579964 0.80 NPC1 (0.51) TRPV1KDM4E

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-0716088-B1 PROCESS FOR PRODUCING 2-(TETRAZOL-5-YL)-4-OXO-4H-BENZOPYRANS SUMITOMO CHEMICAL CO (JP) 2004-02-18 EP disclosed
US-5597929-A Production process of 2-(tetrazol-5-yl)-4-oxo-4H-benzopyran SUMITOMO CHEMICAL CO., LTD. (JP) 1997-01-28 US disclosed
EP-0716088-A1 PROCESS FOR PRODUCING 2-(TETRAZOL-5-YL)-4-OXO-4H-BENZOPYRANS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-06-12 EP disclosed