SCHEMBL9752006

SCHEMBL9752006

COC(=O)C1Oc2ccccc2Cc2cccc(C(C)(C)C)c2O1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GABRA1 P14867 2/20 0.32
GABRB2 P47870 2/20 0.32
SSTR4 P31391 1/20 0.32
NISCH Q9Y2I1 1/20 0.32
KMT2A Q03164 4/20 0.32
MEN1 O00255 2/20 0.32
LPAR1 Q92633 1/20 0.31
MAOA P21397 1/20 0.31

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
SCHEMBL10471929 0.89 TDP1 (0.36) KDM4EL3MBTL1GAAGABRA1GABRB2
SCHEMBL9752005 0.84 MAOA (0.42) ATMKDM4EALDH1A1HPGDL3MBTL1
SCHEMBL10470798 0.84 CA12 (0.34) KDM4EALDH1A1HPGDL3MBTL1TSHR
SCHEMBL9752013 0.84 KMT2A (0.38) ALDH1A1L3MBTL1MAPK1GABRA1GABRB2
SCHEMBL10472315 0.84 HDAC4 (0.35) KDM4EALDH1A1HPGDL3MBTL1TSHR
SCHEMBL10471566 0.83 CTNNB1 (0.39) KDM4EALDH1A1HPGDL3MBTL1TSHR
SCHEMBL10471599 0.83 L3MBTL1 (0.36) KDM4EALDH1A1HPGDL3MBTL1GAA
SCHEMBL10470238 0.83 TDP1 (0.38) KDM4EALDH1A1L3MBTL1GAATSHR
SCHEMBL10472007 0.82 HSD17B10 (0.35) ALDH1A1HPGDL3MBTL1GAATSHR
SCHEMBL10471918 0.80 ALDH1A1 (0.34) KDM4EALDH1A1HPGDL3MBTL1GAA

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