SCHEMBL8526862

SCHEMBL8526862

O=C1CCCC(=O)N1C(=O)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 2/20 0.55
CTRB1 P17538 1/20 0.55
P2RX1 P51575 1/20 0.54
P2RX3 P56373 1/20 0.54
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
HTR2C P28335 1/20 0.48
ALDH1A1 P00352 3/20 0.47
MAPK1 P28482 2/20 0.47
GAA P10253 1/20 0.47
CYP2C19 P33261 2/20 0.47
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
PSEN1 P49768 1/20 0.46

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
SCHEMBL274967 0.93 P2RX4 (0.58) P2RX4CTRB1P2RX1P2RX3NPC1
SCHEMBL8777369 0.85 P2RX4 (0.50) P2RX4CTRB1P2RX1P2RX3NPC1
SCHEMBL520065 0.81 NPC1 (0.59) P2RX4CTRB1P2RX1P2RX3NPC1
SCHEMBL12474901 0.81 NPC1 (0.63) P2RX4CTRB1P2RX1P2RX3NPC1
SCHEMBL520364 0.80 NPC1 (0.58) P2RX4CTRB1NPC1RAB9AL3MBTL1
SCHEMBL22184884 0.80 HTR2C (0.55) P2RX4CTRB1P2RX1P2RX3NPC1
SCHEMBL31350203 0.79 NPC1 (0.57) P2RX4CTRB1NPC1RAB9AL3MBTL1
SCHEMBL11404740 0.79 HTR1A (0.47) P2RX4CTRB1P2RX1P2RX3NPC1
SCHEMBL876243 0.79 SMN1; SMN2 (0.49) P2RX4CTRB1P2RX1P2RX3NPC1
SCHEMBL19984711 0.78 P2RX4 (0.64) P2RX4CTRB1P2RX1P2RX3NPC1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10005881-B2 Wavelength-converting polymers, method for fabricating the same, and wavelength-converting devices employing the same INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2018-06-26 US disclosed
US-10005881-B2 Wavelength-converting polymers, method for fabricating the same, and wavelength-converting devices employing the same INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2018-06-26 US disclosed
US-5821331-A INHIBIT THE PROTEOLYTIC ACTIVITY OF PROTEASES ELI LILLY AND COMPANY (US) 1998-10-13 US disclosed
US-5514778-A ENZYME INHIBITORS OF PROTEOLYTIC ENZYMES FOR RHINOVIRUSES ELI LILLY AND COMPANY (US) 1996-05-07 US disclosed
EP-0632051-A1 Anti-picornaviral agents ELI LILLY AND COMPANY (US) 1995-01-04 EP disclosed