SCHEMBL6696696

SCHEMBL6696696

O=C(O)CCCOc1cccc2nc3ccccc3c(C(=O)O)c12

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 4/20 0.44
CNR2 P34972 1/20 0.44
CYSLTR2 Q9NS75 3/20 0.43
CYSLTR1 Q9Y271 3/20 0.43
ACKR3 P25106 2/20 0.41
MCL1 Q07820 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
MMP13 P45452 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PDE10A Q9Y233 1/20 0.40
LMNA P02545 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
PLA2G2A P14555 1/20 0.40
PIN1 Q13526 1/20 0.40

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
SCHEMBL9429117 0.85 TOP2A (0.43) CYSLTR2CYSLTR1MMP13KDM4EALDH1A1
SCHEMBL4188279 0.78 RAB9A (0.42) MMP13KDM4EALDH1A1TDP1PDE10A
SCHEMBL3908402 0.77 CYSLTR2 (0.51) LTB4RCYSLTR2CYSLTR1FFAR4MMP13
SCHEMBL29865493 0.76 KDM4E (0.68) CNR2MCL1KDM4EALDH1A1HPGD
SCHEMBL5488944 0.76 KDM4E (0.68) CNR2MCL1KDM4EALDH1A1HPGD
SCHEMBL2910519 0.76 CYSLTR2 (0.42) LTB4RCYSLTR2CYSLTR1FFAR4LMNA
SCHEMBL9424812 0.76 PARP1 (0.46) TDP1PDE10ALMNA
SCHEMBL8876992 0.75 DHFR (0.39) KDM4EALDH1A1PDE10ALMNANPC1
SCHEMBL9385188 0.75 ALOX15 (0.61) LTB4RCNR2CYSLTR2CYSLTR1FFAR4
SCHEMBL7532784 0.73 HTR1B (0.48) KDM4EALDH1A1LMNA

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
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
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
EP-0322926-A2 Assays utilizing improved chemiluminescent esters, thioesters and amides LONDON DIAGNOSTICS, INC. (US) 1989-07-05 EP disclosed