SCHEMBL6580460

SCHEMBL6580460

CC(=O)c1cccc(NC(=O)c2ccc(Cc3ccc(C)cc3)cc2)c1O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
MAPT P10636 5/20 0.47
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 3/20 0.47
HTT P42858 3/20 0.47
GAA P10253 2/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
RXFP1 Q9HBX9 1/20 0.46
SLC16A3 O15427 1/20 0.46
POLB P06746 1/20 0.46
HPGD P15428 1/20 0.46
PARP1 P09874 1/20 0.46
NPSR1 Q6W5P4 2/20 0.46
TDP1 Q9NUW8 2/20 0.45
RECQL P46063 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 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
SCHEMBL6580357 0.92 NPC1 (0.55) NPC1RAB9AMAPTALDH1A1KDM4E
SCHEMBL6579964 0.89 NPC1 (0.51) NPC1RAB9AMAPTALDH1A1KDM4E
SCHEMBL6582795 0.86 F10 (0.57) NPC1RAB9AMAPTALDH1A1HTT
SCHEMBL6580473 0.86 NR1H4 (0.60) NPC1RAB9AMAPTALDH1A1KDM4E
SCHEMBL6580254 0.85 NR1H4 (0.53) NPC1RAB9AMAPTALDH1A1KDM4E
SCHEMBL6581823 0.81 PLK1 (0.58) ALDH1A1KDM4ESLC16A3SMN1; SMN2
SCHEMBL6577993 0.81 PLK1 (0.61) SLC16A3
SCHEMBL6579934 0.81 PLK1 (0.61) KDM4E
SCHEMBL3381862 0.81 POLB (0.56) NPC1RAB9AMAPTALDH1A1KDM4E
SCHEMBL3377996 0.80 NPC1 (0.59) NPC1RAB9AMAPTALDH1A1KDM4E

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