SCHEMBL9751993

SCHEMBL9751993

COC(=O)C1Oc2c(Cl)cccc2Cc2cccc(Cl)c2O1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
AKR1B1 P15121 1/20 0.35
KMT2A Q03164 2/20 0.35
NOTUM Q6P988 2/20 0.34
SLC6A3 Q01959 1/20 0.34
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
PARP1 P09874 2/20 0.33
POLB P06746 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
SCHEMBL10472427 0.92 MTNR1A (0.39) TDP1L3MBTL1KMT2AMTNR1AMTNR1B
SCHEMBL10470238 0.92 TDP1 (0.38) TDP1L3MBTL1CRHBPCRHR2
SCHEMBL10472404 0.86 CRHBP (0.39) TDP1L3MBTL1MTNR1AMTNR1BCRHBP
SCHEMBL9752010 0.84 L3MBTL1 (0.41) L3MBTL1KMT2APARP1
SCHEMBL10472297 0.80 TDP1 (0.38) TDP1L3MBTL1AKR1B1MTNR1AMTNR1B
SCHEMBL10470798 0.77 CA12 (0.34) TDP1L3MBTL1KMT2A
SCHEMBL10472315 0.77 HDAC4 (0.35) TDP1L3MBTL1KMT2A
SCHEMBL9752013 0.77 KMT2A (0.38) L3MBTL1KMT2A
SCHEMBL10471599 0.76 L3MBTL1 (0.36) L3MBTL1KMT2A
SCHEMBL10471566 0.76 CTNNB1 (0.39) L3MBTL1KMT2AMTNR1AMTNR1B

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 5 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-4979978-A Herbicidal 12H-dibenzo[d,g][1,3]dioxocin-6-carboxylic acids THE DOW CHEMICAL COMPANY (US) 1990-12-25 US disclosed
US-4976770-A POSTEMERGENCE, PREEMERGENCE HERBICIDES FERMENTA ASC CORPORATION (US) 1990-12-11 US disclosed