SCHEMBL21706276

SCHEMBL21706276

CC1=C[C@@]2(CC[C@H]3CC=C(CO)C(=O)[C@@H]3O2)OC1=O

nearest known ligand 0.41

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.41

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
SCHEMBL21706280 0.68 PTPN11 (0.34) PTPN11
SCHEMBL21706278 0.67 PTPN1 (0.38)
SCHEMBL20552104 0.63 ALDH1A1 (0.31)
SCHEMBL21673037 0.61 PTPN11 (0.57) PTPN11
SCHEMBL21706191 0.59 PTPN11 (0.67) PTPN11
SCHEMBL21673012 0.58 PTPN11 (1.00) PTPN11
SCHEMBL21643639 0.58 PTPN11 (1.00) PTPN11
SCHEMBL20552017 0.56
SCHEMBL21673024 0.56 PTPN11 (0.76) PTPN11
SCHEMBL23600136 0.52

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
WO-2020033286-A1 NOVEL SESQUITERPENOID ANALOGS PURDUE RESEARCH FOUNDATION (US) 2020-02-13 WO disclosed