SCHEMBL8310669

SCHEMBL8310669

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

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
HDAC6 Q9UBN7 2/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
SSTR4 P31391 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA7 P43166 1/20 0.31
CYP4F2 P78329 2/20 0.30
CYP4A11 Q02928 2/20 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
SCHEMBL27910088 0.93 TDP1 (0.46) CA14TDP1HDAC6HDAC1HDAC2
SCHEMBL2086024 0.88 CA14 (0.39) CA14TDP1HDAC6HDAC1HDAC2
SCHEMBL6024664 0.85 CA1 (0.38) CA14HDAC6HDAC1HDAC2L3MBTL1
SCHEMBL27942277 0.83 HDAC6 (0.37) CA14HDAC6HDAC1HDAC2L3MBTL1
SCHEMBL1884648 0.83 CA14 (0.40) CA14HDAC6HDAC1HDAC2L3MBTL1
SCHEMBL27868897 0.81 HDAC1 (0.39) CA14HDAC6HDAC1HDAC2L3MBTL1
SCHEMBL27662317 0.81 HDAC1 (0.39) CA14HDAC6HDAC1HDAC2L3MBTL1
SCHEMBL5287476 0.81 HDAC6 (0.39) CA14TDP1HDAC6HDAC1HDAC2
SCHEMBL28085982 0.81 HDAC1 (0.39) CA14HDAC6HDAC1HDAC2L3MBTL1
SCHEMBL27947608 0.81 HDAC1 (0.39) CA14HDAC6HDAC1HDAC2L3MBTL1

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
CN-105263477-A Compositions and associated methods for radioisotope-binding microparticles BIOSPHERE MEDICAL INC 2016-01-20 CN disclosed
US-5922741-A 5-aminopyrazoles useful as tyrosine kinase inhibitors CELLTECH THERAPEUTICS LTD. (GB) 1999-07-13 US disclosed
EP-0906286-A1 5-AMINOPYRAZOLES USEFUL AS SELECTIVE INHIBITORS OF THE PROTEIN TYROSINE KINASE P56ICK CELLTECH THERAPEUTICS LIMITED (GB) 1999-04-07 EP disclosed
WO-1997040019-A1 5-AMINOPYRAZOLES USEFUL AS SELECTIVE INHIBITORS OF THE PROTEIN TYROSINE KINASE P56ICK CELLTECH THERAPEUTICS LIMITED (GB) 1997-10-30 WO disclosed