SCHEMBL6580199

SCHEMBL6580199

CC(=O)c1cc(NC(=O)c2ccc(OCCC(C)c3ccccc3)cc2)ccc1O

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 7/20 0.54
MCHR1 Q99705 3/20 0.48
MAPT P10636 2/20 0.48
EGFR P00533 1/20 0.48
TP53 P04637 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
NPC1 O15118 2/20 0.46
CHRNB2 P17787 2/20 0.44
CHRNB4 P30926 2/20 0.44
CHRNA3 P32297 2/20 0.44
CHRNA7 P36544 2/20 0.44
CHRNA4 P43681 2/20 0.44
CHRNA10 Q9GZZ6 1/20 0.44
CHRNA9 Q9UGM1 1/20 0.44
ALOX15 P16050 1/20 0.44
RAB9A P51151 1/20 0.43

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
SCHEMBL6580173 0.82 BCHE (0.52) NR1H4MCHR1MAPTTP53RXFP1
SCHEMBL6582685 0.81 MAPT (0.63) NR1H4MAPTTP53RXFP1MEN1
SCHEMBL6579798 0.81 NR1H4 (0.61) NR1H4MAPTTP53RXFP1MEN1
SCHEMBL6581838 0.81 NR1H4 (0.68) NR1H4MAPTTP53RXFP1MEN1
SCHEMBL6580317 0.80 NR1H4 (0.67) NR1H4MAPTTP53RXFP1MEN1
SCHEMBL6580176 0.80 NR1H4 (0.66) NR1H4MAPTTP53RXFP1MEN1
SCHEMBL6580139 0.79 NPC1 (0.63) MAPTTP53MEN1KMT2ANPC1
SCHEMBL6581663 0.78 MAPT (0.58) NR1H4MAPTTP53MEN1KMT2A
SCHEMBL6346820 0.77 KMT2A (0.65) NR1H4MAPTMEN1KMT2ANPC1
SCHEMBL7896325 0.75 MCHR1 (0.47) NR1H4MCHR1MAPTTP53RXFP1

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 2 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
EP-0716088-A1 PROCESS FOR PRODUCING 2-(TETRAZOL-5-YL)-4-OXO-4H-BENZOPYRANS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-06-12 EP disclosed