SCHEMBL8503697

SCHEMBL8503697

CC(C)=NOC(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.38
DGAT1 O75907 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
HDAC6 Q9UBN7 2/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 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
SCHEMBL11809884 0.79 SMN1; SMN2 (0.39) SMN1; SMN2CA12CA1CA2CA9
SCHEMBL6113101 0.77 ELANE (0.42) ELANEDGAT1SMN1; SMN2HDAC6HDAC1
SCHEMBL16095611 0.77 ELANE (0.33) ELANE
SCHEMBL16095614 0.77 ELANE (0.33) ELANE
SCHEMBL9326229 0.75 ELANE (0.41) ELANEDGAT1HDAC6HDAC1HDAC2
SCHEMBL28653916 0.73 ELANE (0.39) ELANEDGAT1HDAC6HDAC1HDAC2
SCHEMBL29121 0.73 DGAT1 (0.46) ELANEDGAT1SMN1; SMN2HDAC6HDAC1
SCHEMBL7736984 0.72
SCHEMBL6308085 0.71 ELANE (0.38) ELANEDGAT1HDAC6HDAC1HDAC2
Acetic Acid SCHEMBL28020931 0.71 FFAR3 (0.44) ELANEDGAT1SMN1; SMN2HDAC6HDAC1

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
JP-11012245-A None JP disclosed
JP-H1112245-A PRODUCTION OF TERTIARY BUTOXYCARBONYLAMINOALKYLAMINE TOKUYAMA CORP 1999-01-19 JP disclosed