SCHEMBL6581893

SCHEMBL6581893

CC(=O)c1cccc(NC(=O)c2ccc(OCCc3ccccc3)cc2)c1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 7/20 0.55
ACHE P22303 7/20 0.55
BACE1 P56817 2/20 0.55
PLK1 P53350 1/20 0.54
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
NR1H4 Q96RI1 1/20 0.53
PPARA Q07869 3/20 0.49
CASP3 P42574 1/20 0.49
TAAR1 Q96RJ0 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
MAPT P10636 1/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
PPARD Q03181 1/20 0.48
ABCG2 Q9UNQ0 1/20 0.48

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
SCHEMBL3415084 0.94 NR1H4 (0.62) BCHEACHEBACE1PLK1NPC1
SCHEMBL6577550 0.93 NR1H4 (0.61) BCHEACHEBACE1PLK1NPC1
SCHEMBL6577738 0.89 NPC1 (0.63) BCHEACHEBACE1PLK1NPC1
SCHEMBL6580071 0.86 PLK1 (0.58) BCHEACHEBACE1PLK1NPC1
SCHEMBL6577703 0.86 PLK1 (0.64) BCHEACHEBACE1PLK1NPC1
SCHEMBL6581823 0.85 PLK1 (0.58) PLK1SMN1; SMN2NR1H4PPARAABCG2
SCHEMBL6577993 0.85 PLK1 (0.61) PLK1ABCG2
SCHEMBL6579947 0.83 NPC1 (0.67) BCHEACHEBACE1PLK1NPC1
SCHEMBL28418450 0.83 PLK1 (0.60) BCHEACHEBACE1PLK1NPC1
SCHEMBL6580173 0.83 BCHE (0.52) BCHEACHEBACE1PLK1NPC1

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