SCHEMBL6580071

SCHEMBL6580071

CCCOc1ccc(C(=O)Nc2cccc(C(C)=O)c2O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 2/20 0.58
MAPT P10636 5/20 0.56
KDM4E B2RXH2 2/20 0.55
TP53 P04637 3/20 0.55
RXFP1 Q9HBX9 1/20 0.55
RAB9A P51151 3/20 0.54
NPC1 O15118 2/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
CHRNB2 P17787 4/20 0.54
CHRNA4 P43681 4/20 0.54
CHRNB4 P30926 3/20 0.54
CHRNA3 P32297 3/20 0.54
BCHE P06276 2/20 0.53
ACHE P22303 2/20 0.53
BACE1 P56817 1/20 0.53
ALDH1A1 P00352 1/20 0.53
TSHR P16473 1/20 0.53
MCL1 Q07820 1/20 0.53

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
SCHEMBL6577703 0.95 PLK1 (0.64) PLK1MAPTTP53RAB9ANPC1
SCHEMBL28418450 0.92 PLK1 (0.60) PLK1MAPTTP53RAB9ANPC1
SCHEMBL6579947 0.90 NPC1 (0.67) PLK1MAPTKDM4ETP53RAB9A
SCHEMBL6581893 0.86 BCHE (0.55) PLK1MAPTRAB9ANPC1MEN1
SCHEMBL3415084 0.84 NR1H4 (0.62) PLK1RAB9ANPC1MEN1KMT2A
SCHEMBL6577550 0.83 NR1H4 (0.61) PLK1RAB9ANPC1MEN1KMT2A
SCHEMBL6577738 0.83 NPC1 (0.63) PLK1RXFP1RAB9ANPC1MEN1
SCHEMBL6580027 0.83 F10 (0.66) MAPTTP53RXFP1RAB9ANPC1
SCHEMBL11326563 0.83 MAPT (0.67) PLK1MAPTKDM4ETP53RXFP1
SCHEMBL6580173 0.82 BCHE (0.52) PLK1MAPTTP53RXFP1RAB9A

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