SCHEMBL9303051

SCHEMBL9303051

O=C(O)c1cc2cc(CO)ccc2c(-c2ccccc2)c1CO

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA3 P07451 1/20 0.45
CA4 P22748 1/20 0.45
CA6 P23280 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
CA5B Q9Y2D0 1/20 0.45
ACMSD Q8TDX5 1/20 0.43
FOLH1 Q04609 1/20 0.41
GRIN2D O15399 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GPR35 Q9HC97 3/20 0.38
PTPN1 P18031 2/20 0.38
POLB P06746 1/20 0.38
PTPN2 P17706 1/20 0.38

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
SCHEMBL9302447 0.91 GRIN2D (0.41) CA12CA1CA2CA3CA4
SCHEMBL9242812 0.86 GRIN2D (0.44) GRIN2DGRIN2AGRIN2BGRIN2CGPR35
SCHEMBL9302726 0.86 PTPN1 (0.48) GRIN2DGRIN2AGRIN2BGRIN2CGPR35
SCHEMBL9301998 0.81 P2RY14 (0.61) MAOBP2RY14KDM4ESMN1; SMN2
SCHEMBL9303741 0.80 MEN1 (0.52) KDM4ESMN1; SMN2
SCHEMBL9302396 0.77 HSD11B1 (0.39) GRIN2DGRIN2AGRIN2BGRIN2CGPR35
SCHEMBL9303171 0.76 POLB (0.43) ACMSDGRIN2DGRIN2AGRIN2BGRIN2C
SCHEMBL9302889 0.75 ESR1 (0.41) GPR35KDM4ESMN1; SMN2
SCHEMBL9302205 0.75 ESR1 (0.44) CA12CA1CA2CA9GRIN2D
SCHEMBL9255770 0.74 CYP3A4 (0.46) GPR35KDM4ELMNASMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5281720-A Antiasthmatics, antiallergens, antiinflammatory agents and cytoprotective agents MERCK FROSST CANADA, INC. 1994-01-25 US disclosed
US-5227399-A Pyranylphenyl naphthalene lactones as inhibitors of leukotriene biosynthesis MERCK FROSST CANADA, INC. (CA) 1993-07-13 US disclosed
EP-0501579-A1 Naphthalene lactones as inhibitors of leukotriene biosynthesis MERCK FROSST CANADA INC. (CA) 1992-09-02 EP disclosed
EP-0501578-A1 Pyranylphenyl hydroxyalkylnaphthoic acids as inhibitors of leukotriene biosynthesis MERCK FROSST CANADA INC. (CA) 1992-09-02 EP disclosed