SCHEMBL6580075

SCHEMBL6580075

COc1ccc(CC(=O)Nc2cccc(C(C)=O)c2O)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.66
SMN1; SMN2 Q16637 5/20 0.66
KDM4E B2RXH2 3/20 0.58
LMNA P02545 2/20 0.58
NLRP3 Q96P20 2/20 0.56
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
MAPT P10636 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.54
POLB P06746 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
KCNQ2 O43526 1/20 0.54
PARP14 Q460N5 1/20 0.54
HTT P42858 2/20 0.52
RAB9A P51151 1/20 0.52
MAPK8 P45983 2/20 0.52
MAPK9 P45984 1/20 0.52
MAPK10 P53779 1/20 0.52
SNCA P37840 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
SCHEMBL6582831 0.85 ALDH1A1 (0.78) ALDH1A1SMN1; SMN2KDM4ELMNAMEN1
SCHEMBL6577393 0.84 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2KDM4ELMNANLRP3
SCHEMBL6582795 0.81 F10 (0.57) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL28926566 0.81 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2KDM4ELMNANLRP3
SCHEMBL6580027 0.80 F10 (0.66) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL6580051 0.79 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL6581781 0.77 KCNQ2 (0.60) ALDH1A1SMN1; SMN2KDM4ELMNAMEN1
SCHEMBL6169126 0.77 ALDH1A1 (0.80) ALDH1A1SMN1; SMN2KDM4ELMNAMEN1
SCHEMBL3378244 0.76 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2KDM4ELMNAMEN1
SCHEMBL16250677 0.74 PARP14 (0.62) ALDH1A1SMN1; SMN2KDM4ELMNANLRP3

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