SCHEMBL7700641

SCHEMBL7700641

CCCCCC(C(=O)CC)C(=O)OCC

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ZDHHC7 Q9NXF8 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.39
MAPT P10636 3/20 0.39
MAPK1 P28482 2/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
GPR84 Q9NQS5 3/20 0.38
NAAA Q02083 1/20 0.38
FFAR1 O14842 1/20 0.38
CA1 P00915 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
CPB2 Q96IY4 1/20 0.38
TP53 P04637 1/20 0.37

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
SCHEMBL4988168 0.98 ZDHHC7 (0.44) TDP1MEN1KMT2AZDHHC7L3MBTL1
SCHEMBL5448275 0.98 ZDHHC7 (0.44) TDP1MEN1KMT2AZDHHC7L3MBTL1
SCHEMBL17304937 0.89 FAAH (0.51) TDP1MEN1KMT2AMAPTFFAR1
SCHEMBL4416132 0.88 TDP1 (0.51) TDP1MEN1KMT2AZDHHC7L3MBTL1
SCHEMBL10611181 0.86 SOAT1 (0.41) TDP1MEN1KMT2AL3MBTL1MAPK1
SCHEMBL182928 0.86 TDP1 (0.50) TDP1MEN1KMT2AZDHHC7L3MBTL1
SCHEMBL5860379 0.86 TDP1 (0.50) TDP1MEN1KMT2AZDHHC7L3MBTL1
SCHEMBL10017368 0.86 TDP1 (0.50) TDP1MEN1KMT2AZDHHC7L3MBTL1
SCHEMBL4416096 0.86 TDP1 (0.50) TDP1MEN1KMT2AZDHHC7L3MBTL1
SCHEMBL9116048 0.86 TDP1 (0.50) TDP1MEN1KMT2AZDHHC7L3MBTL1

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
US-6348618-B1 PREPARING ORGANOLEPTIC OR ANTIMICROBIAL COMPOUNDS BY CONTACTING BETA-KETO ESTER WITH MATERIAL SELECTED FROM BACTERIA, ENZYMES, AND MATERIAL HAVING ACIDIC OR ALKALINE PH, ELEVATING TEMPERATURE, EXPOSING TO LIGHT GIVAUDAN ROURE (INTERNATIONAL) SA (CH) 2002-02-19 US disclosed
US-6222062-B1 USEFUL AS PRECURSORS FOR ORGANOLEPTIC COMPOUNDS, ESPECIALLY FOR FLAVORS, FRAGRANCES AND MASKING AGENTS AND ANTIMICROBIAL COMPOUNDS GIVAUDAN ROURE (INTERNATIONAL) SA (CH) 2001-04-24 US disclosed
EP-1090624-A2 Beta ketoester Givaudan SA (CH) 2001-04-11 EP disclosed
EP-0911315-A1 Beta-ketoester Givaudan Roure (International) S.A. (CH) 1999-04-28 EP disclosed