SCHEMBL24835278

SCHEMBL24835278

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 2/20 0.48
▸ LMNA P02545 2/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ IL1B P01584 1/20 0.38
▸ PTPN1 P18031 6/20 0.37
▸ PTPN2 P17706 1/20 0.37
▸ ACP1 P24666 2/20 0.35
▸ GP6 Q9HCN6 1/20 0.35
▸ PTPRF P10586 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ CES2 O00748 1/20 0.34
▸ CES1 P23141 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ NR1H4 Q96RI1 1/20 0.34
▸ BCHE P06276 1/20 0.34

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 SCHEMBL24834729 0.87 HSD11B1 (0.63) HSD11B1LMNACYP3A4MEN1KMT2A
Calliterpenone SCHEMBL13401769 0.87 HSD11B1 (0.63) HSD11B1LMNACYP3A4MEN1KMT2A
SCHEMBL29993378 0.80 SELP (0.44) HSD11B1LMNACYP3A4MEN1KMT2A
SCHEMBL24834724 0.73 HSD11B1 (0.46) HSD11B1LMNACYP3A4MEN1KMT2A
SCHEMBL24834730 0.73 PTPN1 (0.42) LMNAIL1BPTPN1PTPN2ACP1
Annosquamosin B SCHEMBL31497491 0.68 HSD11B1 (0.81) HSD11B1LMNACYP3A4MEN1KMT2A
SCHEMBL3491225 0.67 CES2 (0.40) LMNAIL1BPTPN1PTPN2ACP1
SCHEMBL3491226 0.67 CES2 (0.40) LMNAIL1BPTPN1PTPN2ACP1
SCHEMBL13401510 0.65 PTPN1 (0.58) HSD11B1LMNAIL1BPTPN1PTPN2
SCHEMBL5043911 0.65 HSD11B1 (0.81) HSD11B1LMNACYP3A4MEN1KMT2A

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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