SCHEMBL8991489

SCHEMBL8991489

CCCCCCCCCCCCC(CO)(CO)Cc1cc(OCc2ccccc2)ccc1OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.43
PTGES O14684 2/20 0.43
ALOX5 P09917 2/20 0.43
PPARG P37231 2/20 0.43
PSEN1 P49768 3/20 0.42
GGPS1 O95749 1/20 0.42
MTNR1B P49286 2/20 0.41
CCR5 P51681 1/20 0.41
PLA2G2D Q9UNK4 1/20 0.41
LMNA P02545 1/20 0.40
CTRC Q99895 1/20 0.40
C5AR1 P21730 1/20 0.39
PTGER1 P34995 1/20 0.39
PTGER4 P35408 1/20 0.39
PTGER3 P43115 1/20 0.39
PTGER2 P43116 1/20 0.39

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
SCHEMBL8991579 0.87 GAA (0.45) CCR5LMNAPTGER1PTGER4PTGER3
SCHEMBL8991674 0.81 MTNR1A (0.49) MTNR1APTGESALOX5PPARGPSEN1
SCHEMBL1244579 0.70 MAOB (0.51) PTGESALOX5PPARGLMNAC5AR1
SCHEMBL28476407 0.70 MAOB (0.51) ALOX5PPARGLMNA
Tetradecane SCHEMBL28375680 0.69 SLC6A2 (0.57) LMNA
SCHEMBL9402747 0.68 PTPN11 (0.64)
SCHEMBL9402829 0.68 PTPN11 (0.64)
SCHEMBL9402749 0.68 PTPN11 (0.64)
SCHEMBL11046795 0.68 MAOB (0.47) PPARGGGPS1
SCHEMBL28330023 0.68 ALOX5 (0.54) ALOX5PPARGCCR5LMNA

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 6 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
US-5132436-A Intermediates for making 14-crown-4-ether derivatives EASTMAN KODAK COMPANY (US) 1992-07-21 US disclosed