SCHEMBL6577993

SCHEMBL6577993

CC(=O)c1cccc(NC(=O)c2ccc(CCCCc3ccccc3)cc2)c1O

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 10/20 0.61
▸ PLK3 Q9H4B4 7/20 0.61
▸ TRPV1 Q8NER1 2/20 0.53
▸ SLC16A3 O15427 2/20 0.52
▸ HDAC1 Q13547 2/20 0.51
▸ HDAC8 Q9BY41 2/20 0.49
▸ 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

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 0.97 PLK1 (0.58) PLK1PLK3TRPV1SLC16A3HDAC1
SCHEMBL6579934 0.90 PLK1 (0.61) PLK1PLK3TRPV1ABCG2
SCHEMBL3415084 0.90 NR1H4 (0.62) PLK1PLK3
SCHEMBL6577550 0.89 NR1H4 (0.61) PLK1PLK3
SCHEMBL3381862 0.85 POLB (0.56) HDAC1HDAC3HDAC2
SCHEMBL6581893 0.85 BCHE (0.55) PLK1ABCG2
SCHEMBL6580254 0.84 NR1H4 (0.53) PLK1PLK3TRPV1SLC16A3HDAC1
SCHEMBL6580165 0.82 KDM4E (0.53) TRPV1HDAC1HDAC8HDAC3HDAC4
SCHEMBL6577738 0.82 NPC1 (0.63) PLK1HDAC1HDAC3HDAC2
SCHEMBL6580460 0.81 NPC1 (0.48) SLC16A3

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
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