SCHEMBL6579568

SCHEMBL6579568

O=C(O)c1nnnn1C(=O)OCCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 1/20 0.50
DAGLA Q9Y4D2 2/20 0.46
HCAR2 Q8TDS4 1/20 0.43
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
AKR1B10 O60218 2/20 0.41
AKR1B1 P15121 2/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
GLA P06280 1/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HIF1A Q16665 1/20 0.41

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
SCHEMBL6579876 0.87 P2RX4 (0.47) P2RX4DAGLAHCAR2TDP1NPC1
SCHEMBL6582834 0.77 MAPK1 (0.44) NPC1ALDH1A1TP53HPGDMAPK1
SCHEMBL6581481 0.70 FAAH (0.36)
SCHEMBL20154173 0.70 ALDH1A1 (0.47) P2RX4DAGLATDP1NPC1RAB9A
SCHEMBL6577327 0.69 HPGD (0.54) RAB9AALDH1A1HPGDTSHRMAPK1
SCHEMBL3364047 0.69 HCAR2 (0.58) P2RX4HCAR2ESR1ESR2TDP1
SCHEMBL5662395 0.69 DAGLA (0.49) P2RX4DAGLATDP1NPC1RAB9A
SCHEMBL983427 0.69 HCAR2 (0.61) P2RX4HCAR2ESR1ESR2TDP1
SCHEMBL872143 0.69 HCAR2 (0.61) P2RX4HCAR2ESR1ESR2TDP1
SCHEMBL14694691 0.69 HCAR2 (0.61) P2RX4HCAR2ESR1ESR2TDP1

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