SCHEMBL9752833

SCHEMBL9752833

CCCCOC(C)OC(=O)C1Oc2ccccc2Cc2ccccc2O1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.35
TAOK3 Q9H2K8 3/20 0.34
TAOK1 Q7L7X3 2/20 0.34
POLB P06746 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HTR2A P28223 1/20 0.34
PPARG P37231 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
HPGD P15428 1/20 0.33
PPARA Q07869 1/20 0.33
TSHR P16473 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL9752831 0.79 TDP1 (0.39) PPARGTDP1PPARATSHRL3MBTL1
SCHEMBL9752743 0.78 PPARG (0.47) POLBHSD17B10PPARGTDP1TSHR
SCHEMBL9752907 0.77 ALDH1A1 (0.41) KMT2ATDP1TSHR
SCHEMBL10400577 0.74 ALDH1A1 (0.47) KMT2APOLBHSD17B10TDP1TSHR
SCHEMBL10399931 0.74 ALDH1A1 (0.52) KMT2AHSD17B10TDP1TSHRL3MBTL1
SCHEMBL9752005 0.72 MAOA (0.42) KMT2APOLBHSD17B10HPGDTSHR
SCHEMBL10400814 0.71 TSHR (0.43) KMT2APPARGTSHR
SCHEMBL11810103 0.70 MEN1 (0.45) KMT2AHSD17B10HPGDTSHR
SCHEMBL9753155 0.69 MAOA (0.39) HPGDTSHR
SCHEMBL10400768 0.69 MAOA (0.39) POLBHTR2AHPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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