SCHEMBL29939086

SCHEMBL29939086

COC(=O)[C@@H]1[C@H]2CCO[C@H]21

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PPM1B O75688 1/20 0.43
▸ PTPN1 P18031 1/20 0.43
▸ PPP1CC P36873 1/20 0.43
▸ CYP2C19 P33261 1/20 0.33
▸ SLC6A4 P31645 5/20 0.32
▸ SLC6A3 Q01959 5/20 0.32
▸ PDK1 Q15118 1/20 0.32
▸ TSHR P16473 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ TP53 P04637 1/20 0.31

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
SCHEMBL255394 0.79 PPM1B (0.47) PPM1BPTPN1PPP1CCTSHR
SCHEMBL16409190 0.77 — —
SCHEMBL8763778 0.74 — —
SCHEMBL29939170 0.74 — —
SCHEMBL8473651 0.74 — —
SCHEMBL29938649 0.72 — —
SCHEMBL29938575 0.72 — —
SCHEMBL29939189 0.72 — —
SCHEMBL3465102 0.72 — —
SCHEMBL16391345 0.72 — —

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-2022192224-A1 BICYCLIC AMIDES FOR CONTROLLING INVERTEBRATE PESTS FMC CORPORATION (US) 2022-09-15 — — WO disclosed
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