SCHEMBL9752011

SCHEMBL9752011

CCOC(=O)C1Oc2ccccc2Cc2c(C)cccc2O1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
MAPT P10636 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
GLA P06280 2/20 0.41
ATM Q13315 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NR1D1 P20393 1/20 0.38
TSHR P16473 1/20 0.38
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 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
SCHEMBL10400577 0.88 ALDH1A1 (0.47) ALDH1A1TDP1KDM4EMEN1KMT2A
SCHEMBL10472006 0.83 POLB (0.38) ALDH1A1MEN1KMT2A
SCHEMBL10471441 0.83 POLB (0.44) ALDH1A1HPGDSMN1; SMN2TSHR
SCHEMBL32687865 0.79 ALDH1A1 (0.54) ALDH1A1MAPTTDP1GLAATM
SCHEMBL9128468 0.79 ALDH1A1 (0.54) ALDH1A1MAPTTDP1GLAATM
SCHEMBL7487260 0.78 NISCH (0.54) ALDH1A1TDP1KDM4ERAB9AMEN1
SCHEMBL9752907 0.78 ALDH1A1 (0.41) ALDH1A1TDP1GAAMEN1KMT2A
SCHEMBL11002764 0.77 ALDH1A1 (0.44) ALDH1A1MAPTTDP1GAAL3MBTL1
SCHEMBL9752004 0.76 L3MBTL1 (0.40) ALDH1A1MAPTTDP1KDM4EHPGD
SCHEMBL9751983 0.75 ALDH1A1 (0.40) ALDH1A1MAPTKDM4ESMN1; SMN2CYP4F2

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