SCHEMBL30668916

SCHEMBL30668916

CC1(C)C[C@@H](O)C[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@@](O)(CO)C3

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 3/20 0.64
▸ 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
▸ F10 P00742 5/20 0.37
▸ LMNA P02545 2/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ POLA1 P09884 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ HSD11B2 P80365 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
SCHEMBL5043911 0.83 HSD11B1 (0.81) HSD11B1MEN1KMT2AALDH1A1MAPT
SCHEMBL5043912 0.83 HSD11B1 (0.81) HSD11B1MEN1KMT2AALDH1A1MAPT
SCHEMBL24834680 0.80 HSD11B1 (0.67) HSD11B1MEN1KMT2AALDH1A1MAPT
Annosquamosin B SCHEMBL31497491 0.78 HSD11B1 (0.81) HSD11B1MEN1KMT2AALDH1A1MAPT
SCHEMBL24049540 0.74 HSD11B1 (0.67) HSD11B1MEN1KMT2AALDH1A1MAPT
Calliterpenone SCHEMBL13401769 0.74 HSD11B1 (0.63) HSD11B1MEN1KMT2AALDH1A1MAPT
Calliterpenone SCHEMBL24834729 0.74 HSD11B1 (0.63) HSD11B1MEN1KMT2AALDH1A1MAPT
SCHEMBL24834667 0.73 HSD11B1 (1.00) HSD11B1MEN1KMT2AALDH1A1MAPT
SCHEMBL16491619 0.73 HSD11B1 (1.00) HSD11B1MEN1KMT2AALDH1A1MAPT
SCHEMBL14690730 0.73 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114702388-B Compound in rabdosia rubescens and extraction and separation method and application thereof 贵州中医药大学 2024-04-19 — — CN disclosed
CN-107846893-B Herbicidal composition comprising clomazone and saflufenacil 巴斯夫农业公司 2024-02-20 — — CN disclosed
CN-116763765-A Application of siegesbeckia extract alcohol in preparing medicine for treating and/or preventing rheumatoid arthritis 沈阳药科大学 2023-09-19 — — CN disclosed
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