SCHEMBL8991674

SCHEMBL8991674

CCCCCCCCCCCCC(Cc1cc(OCc2ccccc2)ccc1OCc1ccccc1)(C(=O)OC)C(=O)OC

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.49
MTNR1B P49286 3/20 0.48
PSEN1 P49768 2/20 0.44
PTGES O14684 2/20 0.44
ALOX5 P09917 2/20 0.44
PPARG P37231 2/20 0.44
PLA2G2D Q9UNK4 1/20 0.42
GGPS1 O95749 1/20 0.41
SMPD1 P17405 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
SCHEMBL8991519 0.88 GAA (0.44) MTNR1A
SCHEMBL8991489 0.81 MTNR1A (0.43) MTNR1AMTNR1BPSEN1PTGESALOX5
SCHEMBL28697364 0.74 ALDH1A1 (0.46) MTNR1A
SCHEMBL11172488 0.73 PTPRB (0.58)
SCHEMBL28774955 0.73 PTPRB (0.50)
SCHEMBL9402671 0.72 PTPN11 (0.54) MTNR1A
SCHEMBL9402875 0.72 PTPN11 (0.54) MTNR1A
SCHEMBL9402538 0.72 PTPN11 (0.54) MTNR1A
SCHEMBL22438874 0.70 PTPN11 (0.55)
SCHEMBL22439018 0.70 PTPN11 (0.55)

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