SCHEMBL6581823

SCHEMBL6581823

CC(=O)c1cccc(NC(=O)c2ccc(CCCc3ccccc3)cc2)c1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 8/20 0.58
PLK3 Q9H4B4 5/20 0.58
TRPV1 Q8NER1 2/20 0.53
HDAC8 Q9BY41 2/20 0.52
SLC16A3 O15427 1/20 0.49
HDAC1 Q13547 3/20 0.48
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
ABCG2 Q9UNQ0 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 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
SCHEMBL6577993 0.97 PLK1 (0.61) PLK1PLK3TRPV1HDAC8SLC16A3
SCHEMBL6579934 0.90 PLK1 (0.61) PLK1PLK3TRPV1ABCG2KDM4E
SCHEMBL3415084 0.88 NR1H4 (0.62) PLK1PLK3SMN1; SMN2NR1H4
SCHEMBL6577550 0.87 NR1H4 (0.61) PLK1PLK3SMN1; SMN2NR1H4
SCHEMBL3381862 0.85 POLB (0.56) HDAC1HDAC3HDAC2KDM4EALDH1A1
SCHEMBL6581893 0.85 BCHE (0.55) PLK1ABCG2SMN1; SMN2PPARANR1H4
SCHEMBL6580254 0.84 NR1H4 (0.53) PLK1PLK3TRPV1SLC16A3HDAC1
SCHEMBL6577738 0.82 NPC1 (0.63) PLK1HDAC1HDAC3HDAC2SMN1; SMN2
SCHEMBL6580460 0.81 NPC1 (0.48) SLC16A3KDM4EALDH1A1SMN1; SMN2
SCHEMBL6579964 0.80 NPC1 (0.51) TRPV1HDAC1KDM4EALDH1A1LMNA

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