Calliterpenone

Calliterpenone

SCHEMBL24834729

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

nearest known ligand 0.63

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 2/20 0.63
▸ MEN1 O00255 3/20 0.54
▸ KMT2A Q03164 3/20 0.54
▸ ALDH1A1 P00352 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ THRB P10828 1/20 0.44
▸ LMNA P02545 3/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ PTPN1 P18031 6/20 0.40
▸ ACP1 P24666 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ PTPRF P10586 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ PTPN2 P17706 1/20 0.38
▸ IL1B P01584 1/20 0.37
▸ NT5E P21589 1/20 0.37
▸ GPBAR1 Q8TDU6 1/20 0.37
▸ GP6 Q9HCN6 1/20 0.37
▸ CES2 O00748 1/20 0.36
▸ CES1 P23141 1/20 0.36

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
Calliterpenone SCHEMBL13401769 1.00 HSD11B1 (0.63) HSD11B1MEN1KMT2AALDH1A1MAPT
SCHEMBL24835278 0.87 HSD11B1 (0.48) HSD11B1MEN1KMT2AALDH1A1MAPT
Annosquamosin B SCHEMBL31497491 0.80 HSD11B1 (0.81) HSD11B1MEN1KMT2AALDH1A1MAPT
SCHEMBL29993378 0.78 SELP (0.44) HSD11B1MEN1KMT2ALMNACYP3A4
SCHEMBL5043911 0.78 HSD11B1 (0.81) HSD11B1MEN1KMT2AALDH1A1MAPT
SCHEMBL5043912 0.78 HSD11B1 (0.81) HSD11B1MEN1KMT2AALDH1A1MAPT
SCHEMBL24834680 0.77 HSD11B1 (0.67) HSD11B1MEN1KMT2AALDH1A1MAPT
SCHEMBL24834667 0.75 HSD11B1 (1.00) HSD11B1MEN1KMT2AALDH1A1MAPT
SCHEMBL16491619 0.75 HSD11B1 (1.00) HSD11B1MEN1KMT2AALDH1A1MAPT
SCHEMBL14690730 0.75 HSD11B1 (1.00) HSD11B1MEN1KMT2AALDH1A1MAPT

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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