SCHEMBL9019269

SCHEMBL9019269

CC(O)N(C(=O)OC(C)(C)C)C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
CYP2D6 P10635 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
USP30 Q70CQ3 1/20 0.31
DGAT1 O75907 1/20 0.31
CA14 Q9ULX7 1/20 0.30

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
SCHEMBL19492022 0.86 USP30 (0.35) HDAC6HDAC1HDAC2CYP2D6CA1
SCHEMBL24824282 0.81 CA1 (0.34) HDAC6HDAC1HDAC2CYP2D6CA1
SCHEMBL646682 0.79 MEN1 (0.33) HDAC6HDAC1HDAC2CA1CA2
SCHEMBL30279497 0.79 MEN1 (0.30)
SCHEMBL20811333 0.78 MEN1 (0.32) HDAC6HDAC1HDAC2CA14
SCHEMBL22221412 0.78 MEN1 (0.32) HDAC6HDAC1HDAC2CA14
SCHEMBL503445 0.77 HDAC6 (0.35) HDAC6HDAC1HDAC2CYP2D6CA1
SCHEMBL5204515 0.76 CA14 (0.39) HDAC6HDAC1HDAC2CA1CA2
SCHEMBL643632 0.76 AAK1 (0.35) HDAC6HDAC1HDAC2CYP2D6CA1
SCHEMBL1028060 0.73 POLB (0.45) HDAC6HDAC1HDAC2CYP2D6CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0581167-B1 Novel arylglycinamide derivatives and preparative processes therefor and their use for treatment of dysuria KYORIN SEIYAKU KK (JP) 1996-10-09 EP disclosed
US-5439919-A Treatment of urinary incontinence KYORIN PHARMACEUTICAL CO., LTD. (JP) 1995-08-08 US disclosed
EP-0581167-A1 Novel arylglycinamide derivatives and preparative processes therefor and their use for treatment of dysuria KYORIN PHARMACEUTICAL CO., LTD. (JP) 1994-02-02 EP disclosed