SCHEMBL6582685

SCHEMBL6582685

CCCOc1ccc(C(=O)Nc2ccc(O)c(C(C)=O)c2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.63
RAB9A P51151 5/20 0.61
MEN1 O00255 4/20 0.61
KMT2A Q03164 4/20 0.61
NPC1 O15118 3/20 0.61
KDM4E B2RXH2 2/20 0.60
ALDH1A1 P00352 2/20 0.60
TSHR P16473 1/20 0.60
MCL1 Q07820 1/20 0.60
HSD17B10 Q99714 1/20 0.60
TP53 P04637 3/20 0.58
RXFP1 Q9HBX9 1/20 0.58
NR1H4 Q96RI1 2/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
USP2 O75604 1/20 0.55
PLK1 P53350 1/20 0.55
LMNA P02545 1/20 0.53
STAT3 P40763 1/20 0.53
XDH P47989 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL6579798 0.95 NR1H4 (0.61) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL6580139 0.90 NPC1 (0.63) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL6581838 0.83 NR1H4 (0.68) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL6580095 0.83 NPC1 (0.67) RAB9AMEN1KMT2ANPC1KDM4E
SCHEMBL6580317 0.82 NR1H4 (0.67) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL14339507 0.81 MAPT (0.77) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL6580199 0.81 NR1H4 (0.54) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL1415014 0.81 MAOB (0.58) KMT2AMCL1
SCHEMBL6581663 0.81 MAPT (0.58) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL6581908 0.80 NPC1 (0.56) MAPTRAB9AMEN1KMT2ANPC1

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