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
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