SCHEMBL27872188

SCHEMBL27872188

COC(=O)C=C1CCC(NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.45
MAOB P27338 1/20 0.45
BTK Q06187 1/20 0.44
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
CTSK P43235 2/20 0.42
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GAA P10253 2/20 0.40
DRD2 P14416 2/20 0.40
EPHX1 P07099 1/20 0.40
EPHX2 P34913 1/20 0.39
CKS1B P61024 1/20 0.39
SKP1 P63208 1/20 0.39
SKP2 Q13309 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
KCNA3 P22001 1/20 0.37

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
SCHEMBL22942009 0.87 BTK (0.46) KDM1AMAOBBTKNFKB1NFKB2
SCHEMBL28310040 0.87 BTK (0.49) KDM1AMAOBBTKNFKB1NFKB2
SCHEMBL9078331 0.86 NFKB1 (0.49) KDM1AMAOBBTKNFKB1NFKB2
SCHEMBL20115731 0.86 ESR2 (0.48) KDM1AMAOBBTKCTSKKMT2A
SCHEMBL26079223 0.82 BTK (0.47) KDM1AMAOBBTKNFKB1NFKB2
SCHEMBL15715158 0.80 ESR2 (0.44) KDM1AMAOBBTKNFKB1NFKB2
SCHEMBL15688927 0.80 ESR2 (0.44) KDM1AMAOBBTKNFKB1NFKB2
SCHEMBL15688929 0.80 ESR2 (0.44) KDM1AMAOBBTKNFKB1NFKB2
SCHEMBL22776716 0.79 BTK (0.48) KDM1AMAOBBTKNFKB1NFKB2
SCHEMBL28870402 0.79 BTK (0.48) KDM1AMAOBBTKNFKB1NFKB2

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-111925304-A Compound for preparing kalilazine and preparation method thereof 江苏恩华药业股份有限公司 2020-11-13 CN disclosed
CN-105985335-A Hydroxamic acid compound, preparation method and application thereof 成都地奥九泓制药厂 2016-10-05 CN disclosed
CN-102659630-B A kind of hydroxamic acid compound and its production and use CHENGDU DIAO JIUHONG PHARMACEUTICAL FACTORY (CN) 2016-01-06 CN disclosed
CN-102659630-A Hydroxamic acid compound and preparation method as well as application thereof CHENGDU DIAO JIUHONG PHARMACEUTICAL FACTORY 2012-09-12 CN disclosed