SCHEMBL30780864

SCHEMBL30780864

C=C[C@@]1(C)C[C@@H](O)[C@H]2[C@@](O)(CC[C@H]3[C@@](C)(CO)CCC[C@@]32C)C1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.46
NR1H3 Q13133 2/20 0.45
HSD11B2 P80365 1/20 0.42
LMNA P02545 1/20 0.40
CYP3A4 P08684 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
BCHE P06276 3/20 0.38
ACHE P22303 2/20 0.38
CDC25A P30304 2/20 0.37
CDC25B P30305 2/20 0.37
PTGS1 P23219 3/20 0.34
PTPN1 P18031 1/20 0.33
F10 P00742 1/20 0.33

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
Akhdardiol SCHEMBL30780859 0.83 HSD11B1 (0.49) HSD11B1NR1H3HSD11B2LMNACYP3A4
Akhdardiol SCHEMBL30780865 0.83 HSD11B1 (0.49) HSD11B1NR1H3HSD11B2LMNACYP3A4
Akhdardiol SCHEMBL31410949 0.83 HSD11B1 (0.49) HSD11B1NR1H3HSD11B2LMNACYP3A4
SCHEMBL30018644 0.66 ALDH1A1 (0.42) CYP3A4PTPN1
SCHEMBL26830219 0.66 ALDH1A1 (0.42) CYP3A4PTPN1
SCHEMBL15588772 0.65 HSD11B1 (0.45) HSD11B1NR1H3HSD11B2LMNACYP3A4
SCHEMBL146422 0.65 HSD11B1 (0.45) HSD11B1NR1H3HSD11B2LMNACYP3A4
SCHEMBL8733674 0.63 MAPT (0.44) HSD11B1NR1H3HSD11B2LMNACYP3A4
SCHEMBL8733677 0.63 MAPT (0.44) HSD11B1NR1H3HSD11B2LMNACYP3A4
SCHEMBL3489808 0.63 HSD11B1 (0.79) HSD11B1HSD11B2BCHEACHECDC25A

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
WO-2024038162-A1 AKHDARDIOL FOR USE IN PREVENTING OR TREATING FUNGAL INFECTIONS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2024-02-22 WO disclosed