SCHEMBL28870402

SCHEMBL28870402

CC(C)(C)OC(=O)NC1CCC(=CC(=O)O)C1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.48
CTSK P43235 2/20 0.45
KDM1A O60341 1/20 0.42
MAOB P27338 1/20 0.42
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GAA P10253 2/20 0.40
KCNA3 P22001 1/20 0.40
EPHX2 P34913 1/20 0.39
NFKB1 P19838 2/20 0.39
NFKB2 Q00653 2/20 0.39
RELA Q04206 2/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
DRD2 P14416 2/20 0.38
EPHX1 P07099 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
SCHEMBL22776716 1.00 BTK (0.48) BTKCTSKKDM1AMAOBKMT2A
SCHEMBL28310040 0.93 BTK (0.49) BTKCTSKKDM1AMAOBKMT2A
SCHEMBL29045771 0.88 BTK (0.49) BTKCTSKKDM1AMAOBKMT2A
SCHEMBL28016881 0.84 CTSK (0.46) BTKCTSKKDM1AMAOBKMT2A
SCHEMBL15688927 0.82 ESR2 (0.44) BTKCTSKKDM1AMAOBKMT2A
SCHEMBL15688929 0.82 ESR2 (0.44) BTKCTSKKDM1AMAOBKMT2A
SCHEMBL15715158 0.82 ESR2 (0.44) BTKCTSKKDM1AMAOBKMT2A
SCHEMBL22942009 0.81 BTK (0.46) BTKCTSKKDM1AMAOBKMT2A
SCHEMBL27872188 0.79 KDM1A (0.45) BTKCTSKKDM1AMAOBKMT2A
SCHEMBL26079223 0.79 BTK (0.47) BTKCTSKKDM1AMAOBKMT2A

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
CN-114206866-A Prostaglandin E2Receptor 4 antagonists and uses thereof 泰昂治疗公司 2022-03-18 CN disclosed