SCHEMBL9752016

SCHEMBL9752016

COC(=O)C1(C)Oc2ccccc2Cc2ccccc2O1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.38
POLB P06746 2/20 0.38
HTT P42858 2/20 0.36
IDO1 P14902 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL3519499 0.77 POLB (0.50) MEN1KMT2AL3MBTL1POLBHTT
SCHEMBL30817420 0.75 L3MBTL1 (0.38) MEN1KMT2AL3MBTL1POLBHTT
SCHEMBL27281274 0.74 MEN1 (0.41) MEN1KMT2AL3MBTL1POLBHTT
SCHEMBL28857134 0.72 TRPM8 (0.44) MEN1KMT2AL3MBTL1ALDH1A1KDM4E
SCHEMBL4383883 0.71 CYP2D6 (0.39) MEN1KMT2AL3MBTL1POLBHTT
SCHEMBL22019345 0.70 NOTUM (0.38) KMT2AL3MBTL1POLBHTTALDH1A1
SCHEMBL9752005 0.69 MAOA (0.42) MAOAMAOBKMT2AL3MBTL1POLB
SCHEMBL9752014 0.69 TP53 (0.34) MAOAMAOBL3MBTL1POLBALDH1A1
SCHEMBL20756634 0.68 MAOA (0.61) MAOAMAOBMEN1KMT2AGAA
SCHEMBL1470334 0.68 MEN1 (0.47) MEN1KMT2AL3MBTL1POLBHTT

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