SCHEMBL13495590

SCHEMBL13495590

Nc1cc2c(cc1OC(=O)CCCCC1CCSS1)OCO2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.48
▸ TARDBP Q13148 2/20 0.48
▸ HSD17B10 Q99714 2/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ NR1I2 O75469 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ THRB P10828 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ ACHE P22303 1/20 0.45
▸ APEX1 P27695 1/20 0.45
▸ RECQL P46063 1/20 0.45
▸ BLM P54132 1/20 0.45
▸ PMP22 Q01453 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ SAE1 Q9UBE0 1/20 0.45
▸ UBA2 Q9UBT2 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL9906238 0.87 KMT2A (0.45) KMT2ATARDBPHSD17B10CYP2C9MEN1
SCHEMBL9906248 0.86 KMT2A (0.44) KMT2ATARDBPHSD17B10CYP2C9MEN1
SCHEMBL9906233 0.84 HSD17B10 (0.42) KMT2ATARDBPHSD17B10CYP2C9MEN1
SCHEMBL9906234 0.82 KMT2A (0.46) KMT2ATARDBPHSD17B10CYP2C9MEN1
SCHEMBL15034474 0.80 BCHE (0.41) KMT2ATARDBPHSD17B10CYP2C9MEN1
SCHEMBL9906237 0.77 HSD17B10 (0.38) KMT2ATARDBPHSD17B10CYP2C9MEN1
SCHEMBL15034449 0.75 BCHE (0.37) KMT2AHSD17B10CYP2C9MEN1NR1I2
SCHEMBL30015824 0.73 POLB (0.42) KMT2ATARDBPHSD17B10CYP2C9MEN1
SCHEMBL13143681 0.73 KMT2A (0.54) KMT2ATARDBPHSD17B10CYP2C9MEN1
SCHEMBL13143684 0.73 KMT2A (0.54) KMT2ATARDBPHSD17B10CYP2C9MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010017323-A1 NOVEL METHYLENEDIOXY PHENOLIC COMPOUNDS AND THEIR USE TO TREAT DISEASE THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2010-02-11 — — WO disclosed
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