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Sugi Predict / Compounds / SCHEMBL24049566

SCHEMBL24049566

SCHEMBL24049566

C[C@@]12CCC[C@H](CC(=O)O)[C@H]1CCC13CC(CO)C(CC[C@H]12)C3

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CDC25A P30304 2/20 0.43
▸ PTPN1 P18031 2/20 0.43
▸ HSD11B1 P28845 3/20 0.35
▸ HSD11B2 P80365 1/20 0.33
▸ F10 P00742 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
SCHEMBL24049565 0.85 CDC25A (0.45) CDC25APTPN1HSD11B1HSD11B2F10
SCHEMBL24049559 0.81 PTPN1 (0.40) PTPN1HSD11B1HSD11B2
SCHEMBL24049284 0.76 HSD11B1 (0.47) CDC25APTPN1HSD11B1HSD11B2F10
SCHEMBL24050803 0.76 HSD11B1 (0.63) CDC25APTPN1HSD11B1HSD11B2F10
SCHEMBL30387208 0.75 PTPN1 (0.52) PTPN1HSD11B1HSD11B2F10
SCHEMBL24051490 0.75 PTPN1 (0.45) CDC25APTPN1HSD11B1HSD11B2F10
SCHEMBL13401501 0.75 PTPN1 (0.47) PTPN1HSD11B1HSD11B2F10
SCHEMBL3494203 0.75 PTPN1 (0.47) PTPN1HSD11B1HSD11B2F10
SCHEMBL2398561 0.75 PTPN1 (0.47) PTPN1HSD11B1HSD11B2F10
SCHEMBL24051350 0.74 PTPN1 (0.60) CDC25APTPN1HSD11B1HSD11B2F10

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
WO-2021233242-A1 SWEETENER AND FLAVOR COMPOSITIONS CONTAINING TERPENE GLYCOSIDES EPC NATURAL PRODUCTS CO., LTD. (CN) 2021-11-25 — — WO disclosed
WO-2021232750-A1 SWEETENER AND FLAVOR COMPOSITIONS EPC NATURAL PRODUCTS CO., LTD. (CN) 2021-11-25 — — WO disclosed