SCHEMBL8991579

SCHEMBL8991579

CCCCCCCCCCCCC(CO)(CO)Cc1ccccc1OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.45
HTR1A P08908 2/20 0.44
DRD2 P14416 2/20 0.44
LIPE Q05469 1/20 0.43
BCHE P06276 2/20 0.42
LMNA P02545 3/20 0.41
PTGER1 P34995 2/20 0.41
PTGER4 P35408 2/20 0.41
PTGER3 P43115 2/20 0.41
PTGER2 P43116 2/20 0.41
MGLL Q99685 1/20 0.41
ABCB1 P08183 3/20 0.40
MAPT P10636 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
THRB P10828 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
SCHEMBL8991489 0.87 MTNR1A (0.43) LMNAPTGER1PTGER4PTGER3PTGER2
SCHEMBL8991519 0.79 GAA (0.44) GAAHTR1ADRD2BCHEPTGER1
SCHEMBL28375679 0.77 HTR1A (0.65) GAAHTR1ADRD2BCHEPTGER1
SCHEMBL10956404 0.77 HTR1A (0.65) GAAHTR1ADRD2BCHEPTGER1
SCHEMBL21483728 0.72 HTR1A (0.57) GAAHTR1ADRD2LIPELMNA
SCHEMBL12745448 0.72 HTR1A (0.59) HTR1ALIPELMNAMAPTTDP1
SCHEMBL1690480 0.72 HTR1A (0.61) GAAHTR1ADRD2LIPELMNA
SCHEMBL20507263 0.71 TNNC1 (0.49) LMNAKDM4EALDH1A1TP53
SCHEMBL1614610 0.71 RXRA (0.43) LIPEBCHEMAPTTDP1L3MBTL1
SCHEMBL1614851 0.71 RXRA (0.43) LIPEBCHEMAPTTDP1L3MBTL1

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-0516227-B1 Dry analytical element for lithium assay JOHNSON & JOHNSON CLIN DIAG (US) 1996-07-24 EP disclosed
US-5245021-A Lithium carbonate analysis EASTMAN KODAK COMPANY (US) 1993-09-14 US disclosed
US-5188802-A Containing dye derivative of 14-crown-4 ether; colorimetric analysis EASTMAN KODAK COMPANY (US) 1993-02-23 US disclosed
EP-0516227-A2 Dry analytical element for lithium assay Johnson & Johnson Clinical Diagnostics, Inc. (US) 1992-12-02 EP disclosed
EP-0516226-A1 Novel 14-crown-4-ether derivatives EASTMAN KODAK COMPANY (US) 1992-12-02 EP disclosed