SCHEMBL8328107

SCHEMBL8328107

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

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
CA14 Q9ULX7 2/20 0.36
CA1 P00915 2/20 0.34
CA7 P43166 2/20 0.34
CA2 P00918 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
CA12 O43570 1/20 0.33
AAK1 Q2M2I8 1/20 0.31
BCHE P06276 1/20 0.30
ACHE P22303 1/20 0.30
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 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
SCHEMBL16196798 0.89 CA14 (0.34) HDAC6HDAC1HDAC2CA14CA1
SCHEMBL18619385 0.84 CA14 (0.40) HDAC6HDAC1HDAC2CA14CA1
SCHEMBL1859771 0.84 CA14 (0.40) HDAC6HDAC1HDAC2CA14CA1
SCHEMBL2260383 0.83 NFKB1 (0.36) HDAC6HDAC1HDAC2CA14
SCHEMBL2260385 0.83 NFKB1 (0.36) HDAC6HDAC1HDAC2CA14
SCHEMBL7959585 0.82 TDP1 (0.42) HDAC6HDAC1HDAC2CA14CA1
SCHEMBL13215105 0.82 HDAC6 (0.36) HDAC6HDAC1HDAC2CA14CA1
SCHEMBL24594047 0.80 CA14 (0.35) HDAC6HDAC1HDAC2CA14L3MBTL1
SCHEMBL3882477 0.79 HDAC6 (0.39) HDAC6HDAC1HDAC2CA14CA1
SCHEMBL1067066 0.79 CA14 (0.38) HDAC6HDAC1HDAC2CA14CA1

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
US-5908863-A ANTIGROWTH AGENT FOR BONES DOMPE' S.P.A. (IT) 1999-06-01 US disclosed
EP-0792878-A2 Geminal carboxylic acids and esters thereof, pharmaceutical formulations containing them useful in the treatment of bone dysmetabolism Dompé S.P.A. (IT) 1997-09-03 EP disclosed