SCHEMBL24834680

SCHEMBL24834680

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 2/20 0.67
▸ MEN1 O00255 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ ALDH1A1 P00352 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ THRB P10828 1/20 0.44
▸ SLC10A1 Q14973 1/20 0.41
▸ PTPN1 P18031 8/20 0.41
▸ LMNA P02545 2/20 0.40
▸ HIF1A Q16665 2/20 0.40
▸ USP2 O75604 1/20 0.40
▸ TOP2A P11388 1/20 0.40
▸ NT5E P21589 1/20 0.40
▸ RELA Q04206 1/20 0.40
▸ POLA1 P09884 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ AKR1B10 O60218 1/20 0.38
▸ AKR1B1 P15121 1/20 0.38

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
Annosquamosin B SCHEMBL31497491 0.83 HSD11B1 (0.81) HSD11B1MEN1KMT2AALDH1A1MAPT
SCHEMBL5043911 0.81 HSD11B1 (0.81) HSD11B1MEN1KMT2AALDH1A1MAPT
SCHEMBL5043912 0.81 HSD11B1 (0.81) HSD11B1MEN1KMT2AALDH1A1MAPT
SCHEMBL30668916 0.80 HSD11B1 (0.64) HSD11B1MEN1KMT2AALDH1A1MAPT
SCHEMBL527086 0.78 SELP (0.45) HSD11B1
SCHEMBL29993031 0.78 SELP (0.45) HSD11B1
Calliterpenone SCHEMBL13401769 0.77 HSD11B1 (0.63) HSD11B1MEN1KMT2AALDH1A1MAPT
Calliterpenone SCHEMBL24834729 0.77 HSD11B1 (0.63) HSD11B1MEN1KMT2AALDH1A1MAPT
SCHEMBL24834667 0.76 HSD11B1 (1.00) HSD11B1MEN1KMT2AALDH1A1MAPT
SCHEMBL14704498 0.76 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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