SCHEMBL14026271

SCHEMBL14026271

CC(=O)OC1=CC(OC(C)=O)[C@@H](C(C)C)CC1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.36
ACE2 Q9BYF1 1/20 0.32
NSD2 O96028 1/20 0.30
HK1 P19367 1/20 0.30
HKDC1 Q2TB90 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
SCHEMBL1172762 0.83 PTPN1 (0.38) PTPN1ACE2
SCHEMBL7126607 0.83 PTPN1 (0.38) PTPN1ACE2
SCHEMBL4266329 0.70 GLA (0.33)
SCHEMBL2585382 0.70 GLA (0.33)
Methyl Piperitol SCHEMBL3032662 0.65 OPRM1 (0.37) PTPN1ACE2
SCHEMBL28779432 0.65 CYP19A1 (0.34)
SCHEMBL22430738 0.64 ACE2 (0.55) ACE2
SCHEMBL6899350 0.64 ESR1 (0.33) PTPN1
SCHEMBL3726007 0.64 ESR1 (0.33) PTPN1
SCHEMBL10203319 0.64 ESR1 (0.31)

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
US-7446229-B2 Bicyclic cannabinoids UNIVERSITY OF CONNECTICUT (US) 2008-11-04 US disclosed