SCHEMBL13192452

SCHEMBL13192452

CCCC(C(=O)OC)S(=O)(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.42
CA1 P00915 4/20 0.42
RECQL P46063 1/20 0.41
ZDHHC7 Q9NXF8 1/20 0.40
HDAC7 Q8WUI4 3/20 0.40
HDAC8 Q9BY41 3/20 0.40
HDAC6 Q9UBN7 3/20 0.40
HDAC9 Q9UKV0 3/20 0.40
HDAC5 Q9UQL6 3/20 0.40
HDAC1 Q13547 3/20 0.40
HDAC2 Q92769 3/20 0.40
HDAC3 O15379 2/20 0.40
HDAC4 P56524 2/20 0.40
HDAC10 Q969S8 2/20 0.40
HDAC11 Q96DB2 2/20 0.40
CHRM1 P11229 1/20 0.38
AKR1A1 P14550 1/20 0.38
CHRM3 P20309 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38

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
SCHEMBL8012303 0.85 ZDHHC7 (0.56) CA2CA1RECQLZDHHC7CA14
SCHEMBL7853583 0.85 ZDHHC7 (0.56) CA2CA1RECQLZDHHC7CA14
SCHEMBL8626292 0.85 ZDHHC7 (0.56) CA2CA1RECQLZDHHC7CA14
SCHEMBL2760851 0.85 ZDHHC7 (0.56) CA2CA1RECQLZDHHC7CA14
SCHEMBL8028639 0.85 ZDHHC7 (0.56) CA2CA1RECQLZDHHC7CA14
SCHEMBL8630360 0.85 ZDHHC7 (0.56) CA2CA1RECQLZDHHC7CA14
SCHEMBL8629278 0.85 ZDHHC7 (0.56) CA2CA1RECQLZDHHC7CA14
SCHEMBL7199656 0.83 ZDHHC7 (0.54) CA2CA1RECQLZDHHC7CA14
SCHEMBL1484420 0.83 ZDHHC7 (0.54) CA2CA1RECQLZDHHC7CA14
SCHEMBL69695 0.83 ZDHHC7 (0.54) CA2CA1RECQLZDHHC7CA14

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-2012138749-A1 METHODS FOR DECREASING OCULAR TOXICITY OF ANTIBODY DRUG CONJUGATES IMMUNOGEN, INC. (US) 2012-10-11 WO disclosed