SCHEMBL6580181

SCHEMBL6580181

CC(=O)c1cccc(NC(=O)c2ccc(OC(C)C)cc2)c1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.58
KDM4E B2RXH2 2/20 0.58
GAA P10253 1/20 0.55
ALDH1A1 P00352 5/20 0.52
POLB P06746 1/20 0.52
TP53 P04637 3/20 0.50
LMNA P02545 2/20 0.50
HSD17B10 Q99714 2/20 0.50
MCL1 Q07820 1/20 0.50
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
MAPK1 P28482 1/20 0.49
MAPK14 Q16539 1/20 0.48
SMO Q99835 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
HTT P42858 1/20 0.48
PNLIP P16233 1/20 0.48
F10 P00742 1/20 0.48

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
SCHEMBL6580027 0.86 F10 (0.66) MAPTGAAALDH1A1POLBTP53
SCHEMBL6579947 0.83 NPC1 (0.67) MAPTKDM4EGAAALDH1A1POLB
SCHEMBL6580151 0.83 NR1H4 (0.48) POLBLMNAKMT2AMEN1SMN1; SMN2
SCHEMBL6580357 0.82 NPC1 (0.55) MAPTKDM4EGAAALDH1A1POLB
SCHEMBL3381862 0.82 POLB (0.56) MAPTKDM4EGAAALDH1A1POLB
SCHEMBL7477021 0.81 MEN1 (0.47) ALDH1A1KMT2AMEN1SMN1; SMN2NPC1
SCHEMBL6580071 0.81 PLK1 (0.58) MAPTKDM4EALDH1A1TP53HSD17B10
SCHEMBL6577703 0.81 PLK1 (0.64) MAPTTP53LMNAHSD17B10KMT2A
SCHEMBL3377996 0.81 NPC1 (0.59) MAPTKDM4EGAAALDH1A1POLB
SCHEMBL6582795 0.80 F10 (0.57) MAPTGAAALDH1A1POLBTP53

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