SCHEMBL29430481

SCHEMBL29430481

CC(C)(C)OC(=O)NCc1ccccc1CC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.53
KDM4A O75164 1/20 0.49
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA7 P43166 1/20 0.46
CA14 Q9ULX7 1/20 0.46
GLS O94925 1/20 0.46
HDAC1 Q13547 1/20 0.45
IDO1 P14902 1/20 0.44
NAMPT P43490 1/20 0.43
AKR1B1 P15121 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
GAA P10253 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
SYK P43405 1/20 0.42
NQO2 P16083 1/20 0.42

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
SCHEMBL825511 1.00 KCNA5 (0.53) KCNA5KDM4ACA12CA1CA7
SCHEMBL8018113 0.91 KCNA5 (0.56) KCNA5KDM4ACA12CA1CA7
SCHEMBL30159605 0.91 KCNA5 (0.56) KCNA5KDM4ACA12CA1CA7
SCHEMBL11346624 0.88 KCNA5 (0.51) KCNA5KDM4ACA12CA1CA7
SCHEMBL7258326 0.88 KCNA5 (0.53) KCNA5KDM4ACA12CA1CA7
SCHEMBL11520053 0.87 KCNA5 (0.52) KCNA5KDM4ACA12CA1CA7
SCHEMBL5841647 0.87 KCNA5 (0.52) KCNA5KDM4ACA12CA1CA7
SCHEMBL11520059 0.87 KCNA5 (0.52) KCNA5KDM4ACA12CA1CA7
SCHEMBL11346621 0.87 KCNA5 (0.52) KCNA5KDM4ACA12CA1CA7
SCHEMBL11354588 0.85 KCNA5 (0.48) KCNA5KDM4ACA12CA1CA7

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
EP-3965891-A1 ANTIBODY DRUG CONJUGATES Takeda Pharmaceutical Company Limited (JP) 2022-03-16 EP disclosed
CN-114173824-A Antibody drug conjugates 武田药品工业株式会社 2022-03-11 CN disclosed