SCHEMBL3908402

SCHEMBL3908402

O=C(O)CCCOc1ccc2c(C(=O)O)c3ccccc3nc2c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 3/20 0.51
CYSLTR1 Q9Y271 3/20 0.51
MMP13 P45452 1/20 0.47
LTB4R Q15722 3/20 0.47
ACSL1 P33121 2/20 0.46
ACSL6 Q9UKU0 2/20 0.46
DHODH Q02127 1/20 0.46
PDE3B Q13370 3/20 0.46
PDE3A Q14432 3/20 0.46
P2RY12 Q9H244 2/20 0.46
PDE2A O00408 2/20 0.46
FFAR1 O14842 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
PPARA Q07869 1/20 0.44
PLA2G2A P14555 2/20 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
SCHEMBL9429110 0.85 MMP13 (0.45) CYSLTR2CYSLTR1MMP13DHODHPLA2G2A
SCHEMBL3968662 0.84 DHODH (0.43) DHODHPDE3BPDE3AP2RY12PLA2G2A
SCHEMBL13985404 0.81 DHODH (0.58) DHODHPLA2G2A
SCHEMBL6584881 0.78 KDM4E (0.56)
SCHEMBL6696696 0.77 LTB4R (0.44) CYSLTR2CYSLTR1MMP13LTB4RFFAR4
Hydrochloric Acid SCHEMBL7531424 0.77 KDM4E (0.54)
SCHEMBL9425254 0.76 FFAR1 (0.47) DHODHFFAR1FFAR4
Hydrochloric Acid SCHEMBL7532676 0.74 KDM4E (0.48)
SCHEMBL20886118 0.74 PTPN7 (0.67) CYSLTR2CYSLTR1PDE3BPDE3AP2RY12
SCHEMBL30539402 0.74 PTPN7 (0.67) CYSLTR2CYSLTR1PDE3BPDE3AP2RY12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0916658-B1 Assays utilizing improved chemiluminescent esters, thioesters and amides NICHOLS INST DIAGNOSTICS (US) 2009-03-18 EP disclosed
EP-0322926-B2 Assays utilizing improved chemiluminescent esters, thioesters and amides NICHOLS INST DIAGNOSTICS (US) 2004-03-31 EP disclosed
EP-0322926-B1 Assays utilizing improved chemiluminescent esters, thioesters and amides NICHOLS INST DIAGNOSTICS (US) 1999-08-11 EP disclosed
EP-0916658-A1 Assays utilizing improved chemiluminescent esters, thioesters and amides Nichols Institute Diagnostics (US) 1999-05-19 EP disclosed
US-5290936-A Indicators or labels for antibodies or medical diagnosis LONDON DIAGNOSTICS, INC. (US) 1994-03-01 US disclosed
US-5284951-A Aryl ester, thioester or amide of carboxylic acid substituted heterocyclic ring; quaternary compounds LONDON DIAGNOSTICS, INC. (US) 1994-02-08 US disclosed
US-5283334-A Side-chain functional chemiluminescent labels and their conjugates, and assays therefrom LONDON DIAGNOSTICS, INC. (US) 1994-02-01 US disclosed
WO-1989006231-A1 ASSAYS UTILIZING IMPROVED CHEMILUMINESCENT ESTERS, THIOESTERS AND AMIDES LONDON DIAGNOSTICS, INC. (US) 1989-07-13 WO disclosed
EP-0322926-A2 Assays utilizing improved chemiluminescent esters, thioesters and amides LONDON DIAGNOSTICS, INC. (US) 1989-07-05 EP disclosed