SCHEMBL24834730

SCHEMBL24834730

CC1(C)C(=O)CC[C@]2(C)C1CC[C@]13CC(COI)[C@H](CCC12)C3

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 8/20 0.42
▸ CES2 O00748 2/20 0.35
▸ CES1 P23141 2/20 0.35
▸ IL1B P01584 1/20 0.35
▸ ACP1 P24666 2/20 0.34
▸ GP6 Q9HCN6 1/20 0.34
▸ PTPN2 P17706 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ PTPRF P10586 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ NR1H4 Q96RI1 1/20 0.33
▸ BCHE P06276 1/20 0.33
▸ ACHE P22303 1/20 0.33
▸ BACE1 P56817 1/20 0.33
▸ F3 P13726 1/20 0.33
▸ PNLIP P16233 1/20 0.33
▸ NOS2 P35228 1/20 0.33
▸ NT5E P21589 1/20 0.32
▸ GPBAR1 Q8TDU6 1/20 0.32

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
SCHEMBL3491225 0.79 CES2 (0.40) PTPN1CES2CES1IL1BACP1
SCHEMBL3491226 0.79 CES2 (0.40) PTPN1CES2CES1IL1BACP1
SCHEMBL24835278 0.73 HSD11B1 (0.48) PTPN1CES2CES1IL1BACP1
SCHEMBL13401510 0.67 PTPN1 (0.58) PTPN1CES2CES1IL1BACP1
SCHEMBL3492706 0.67 PTPN1 (0.58) PTPN1CES2CES1IL1BACP1
SCHEMBL3492708 0.67 PTPN1 (0.58) PTPN1CES2CES1IL1BACP1
Calliterpenone SCHEMBL24834729 0.66 HSD11B1 (0.63) PTPN1CES2CES1IL1BACP1
Calliterpenone SCHEMBL13401769 0.66 HSD11B1 (0.63) PTPN1CES2CES1IL1BACP1
SCHEMBL2396305 0.65 PTPN1 (0.49) PTPN1
SCHEMBL2037733 0.63 PTPN1 (0.47) PTPN1PTPN2

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-20230000123-A1 SWEETENER AND FLAVOR COMPOSITIONS CONTAINING TERPENE GLYCOSIDES EPC Natural Products Co., Ltd (CN) 2023-01-05 — — US disclosed
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