SCHEMBL8991519

SCHEMBL8991519

CCCCCCCCCCCCC(Cc1ccccc1OCc1ccccc1)(C(=O)OC)C(=O)OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
PTGER1 P34995 1/20 0.43
PTGER4 P35408 1/20 0.43
PTGER3 P43115 1/20 0.43
PTGER2 P43116 1/20 0.43
PTPN1 P18031 2/20 0.42
PTPRC P08575 1/20 0.42
PTPN2 P17706 1/20 0.42
PTPRB P23467 1/20 0.42
PTPRG P23470 1/20 0.42
ACP1 P24666 1/20 0.42
CETP P11597 3/20 0.41
MTNR1A P48039 2/20 0.41
BRD4 O60885 1/20 0.41
BCHE P06276 2/20 0.41
MBOAT4 Q96T53 1/20 0.41
HTR1A P08908 1/20 0.41
DRD2 P14416 1/20 0.41
MGLL Q99685 1/20 0.40
ABCB1 P08183 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
SCHEMBL8991674 0.88 MTNR1A (0.49) MTNR1A
SCHEMBL8991579 0.79 GAA (0.45) GAAPTGER1PTGER4PTGER3PTGER2
SCHEMBL11172488 0.77 PTPRB (0.58) PTPN1PTPRCPTPN2PTPRBPTPRG
SCHEMBL28774955 0.77 PTPRB (0.50) PTPN1PTPRCPTPN2PTPRBPTPRG
SCHEMBL7622744 0.75 PTGER1 (0.43) GAAPTGER1PTGER4PTGER3PTGER2
SCHEMBL28123736 0.74 PTPN1 (0.53) PTPN1PTPRCPTPN2PTPRBPTPRG
SCHEMBL7541915 0.73 CETP (0.52) GAAPTPN1PTPRCCETPMBOAT4
SCHEMBL7537786 0.73 CETP (0.52) GAAPTPN1PTPRCCETPMBOAT4
SCHEMBL28375679 0.73 HTR1A (0.65) GAAPTGER1PTGER4PTGER3PTGER2
SCHEMBL10956404 0.73 HTR1A (0.65) GAAPTGER1PTGER4PTGER3PTGER2

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