SCHEMBL9752002

SCHEMBL9752002

COC(=O)C1Oc2cc(OC)ccc2Cc2ccc(OC)cc2O1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.41
CA5A P35218 1/20 0.41
MTNR1A P48039 8/20 0.41
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
FFAR1 O14842 1/20 0.41
DRD2 P14416 2/20 0.40
DRD1 P21728 2/20 0.40
DRD5 P21918 2/20 0.40
DRD3 P35462 2/20 0.40
DRD4 P21917 1/20 0.40
MTNR1B P49286 4/20 0.40
GABRA1 P14867 1/20 0.40
GABRB2 P47870 1/20 0.40
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 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
SCHEMBL10470271 0.93 DRD2 (0.44) MTNR1ADRD2DRD1DRD5DRD3
SCHEMBL10472404 0.86 CRHBP (0.39) MTNR1ADRD2DRD1DRD5DRD3
SCHEMBL10472053 0.81 POLB (0.48) MTNR1AFFAR1DRD2DRD1DRD5
SCHEMBL9752005 0.78 MAOA (0.42) CA12CA9GABRA1GABRB2
SCHEMBL10470237 0.78 RAB9A (0.39) CA12CA9GABRA1GABRB2
SCHEMBL10470754 0.77 HDAC4 (0.35) GABRA1GABRB2
SCHEMBL10470278 0.77 HTT (0.40) CA2CA12CA9NFKB1NFKB2
SCHEMBL10505831 0.75 CA2 (0.44) CA2CA5AMTNR1ACA12CA9
SCHEMBL11809978 0.75 CA12 (0.40) CA12CA9
SCHEMBL26104681 0.74 FFAR1 (0.42) CA2CA5ACA12CA9FFAR1

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
EP-0439607-A4 NOVEL GLYOXYLATES AND HERBICIDAL AND PLANT GROWTH REGULANT ACTIVITY OF GLYOXYLATES 1991-12-04 EP disclosed
EP-0439607-A1 NOVEL GLYOXYLATES AND HERBICIDAL AND PLANT GROWTH REGULANT ACTIVITY OF GLYOXYLATES ISK BIOSCIENCES CORPORATION (US) 1991-08-07 EP disclosed
WO-1991000009-A1 NOVEL GLYOXYLATES AND HERBICIDAL AND PLANT GROWTH REGULANT ACTIVITY OF GLYOXYLATES FERMENTA ASC CORPORATION (US) 1991-01-10 WO disclosed
US-4976770-A POSTEMERGENCE, PREEMERGENCE HERBICIDES FERMENTA ASC CORPORATION (US) 1990-12-11 US disclosed