SCHEMBL6580077

SCHEMBL6580077

CCCOc1ccc(C(=O)Nc2cccc(C(=O)CO)c2)cc1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 8/20 0.70
MAPT P10636 6/20 0.69
TP53 P04637 3/20 0.69
SMN1; SMN2 Q16637 1/20 0.61
THRB P10828 1/20 0.60
RXFP1 Q9HBX9 1/20 0.60
NPC1 O15118 4/20 0.60
RAB9A P51151 4/20 0.60
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
TSHR P16473 1/20 0.56
MCL1 Q07820 1/20 0.56
HSD17B10 Q99714 1/20 0.56

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
SCHEMBL6577705 0.95 NR1H4 (0.78) NR1H4MAPTTP53SMN1; SMN2THRB
SCHEMBL6579950 0.90 NPC1 (0.73) NR1H4MAPTTP53SMN1; SMN2NPC1
SCHEMBL6581896 0.85 NR1H4 (0.72) NR1H4MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL6580034 0.85 KCNK9 (0.72) TP53SMN1; SMN2RXFP1NPC1RAB9A
SCHEMBL8108301 0.84 NR1H4 (0.78) NR1H4MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL8119505 0.83 NR1H4 (0.83) NR1H4NPC1RAB9AMEN1KMT2A
SCHEMBL6165569 0.83 NR1H4 (0.83) NR1H4NPC1RAB9AMEN1KMT2A
SCHEMBL6580176 0.82 NR1H4 (0.66) NR1H4MAPTTP53SMN1; SMN2RXFP1
SCHEMBL6580184 0.82 NR1H4 (0.58) NR1H4MAPTTP53SMN1; SMN2NPC1
SCHEMBL196100 0.82 NPC1 (0.75) NR1H4MAPTTP53SMN1; SMN2THRB

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