SCHEMBL7866729

SCHEMBL7866729

CC(C)=CN(CCO)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 2/20 0.36
HDAC6 Q9UBN7 2/20 0.34
SSTR4 P31391 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA7 P43166 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
ASGR1 P07306 1/20 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
SCHEMBL503444 0.72 CA14 (0.53) CA14HDAC6SSTR4CA12CA1
SCHEMBL30420929 0.72 CA14 (0.41) CA14HDAC6SSTR4CA12CA1
SCHEMBL28378832 0.72 HDAC6 (0.39) CA14HDAC6SSTR4CA12CA1
SCHEMBL98924 0.71 CHRNB2 (0.44) CA14HDAC6SSTR4CA12CA1
SCHEMBL28584989 0.71 CA14 (0.51) CA14HDAC6SSTR4CA12CA1
SCHEMBL745378 0.71 CA14 (0.51) CA14HDAC6SSTR4CA12CA1
SCHEMBL13803945 0.70 CA14 (0.36) CA14HDAC6CA12CA1CA7
SCHEMBL9019266 0.69 CA14 (0.39) CA14HDAC6SSTR4CA12CA1
SCHEMBL22168191 0.69 CA14 (0.42) CA14HDAC6SSTR4CA12CA1
SCHEMBL2086024 0.69 CA14 (0.39) CA14HDAC6SSTR4CA12CA1

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-1144396-A2 SUBSTITUTED 2-ARYLIMINO HETEROCYCLES AND COMPOSITIONS CONTAINING THEM, FOR USE AS PROGESTERONE RECEPTOR BINDING AGENTS Bayer Corporation (US) 2001-10-17 EP disclosed
WO-2000042031-A2 SUBSTITUTED 2-ARYLIMINO HETEROCYCLES AND COMPOSITIONS CONTAINING THEM, FOR USE AS PROGESTERONE RECEPTOR BINDING AGENTS BAYER CORPORATION (US) 2000-07-20 WO disclosed