Akhdardiol

Akhdardiol

SCHEMBL30780859

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

nearest known ligand 0.49

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.49
NR1H3 Q13133 2/20 0.45
HSD11B2 P80365 1/20 0.45
LMNA P02545 2/20 0.43
CYP3A4 P08684 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CDC25A P30304 2/20 0.40
CDC25B P30305 2/20 0.40
BCHE P06276 3/20 0.38
ACHE P22303 2/20 0.38
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
NR1H4 Q96RI1 1/20 0.34
PTGS1 P23219 1/20 0.34
PLA2G1B P04054 1/20 0.33
PTPN1 P18031 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 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 SCHEMBL30780865 1.00 HSD11B1 (0.49) HSD11B1NR1H3HSD11B2LMNACYP3A4
Akhdardiol SCHEMBL31410949 1.00 HSD11B1 (0.49) HSD11B1NR1H3HSD11B2LMNACYP3A4
SCHEMBL26830219 0.83 ALDH1A1 (0.42) CYP3A4RXRARXRBRXRGPTPN1
SCHEMBL30018644 0.83 ALDH1A1 (0.42) CYP3A4RXRARXRBRXRGPTPN1
SCHEMBL30780864 0.83 HSD11B1 (0.46) HSD11B1NR1H3HSD11B2LMNACYP3A4
SCHEMBL146422 0.71 HSD11B1 (0.45) HSD11B1NR1H3HSD11B2LMNACYP3A4
SCHEMBL15588772 0.71 HSD11B1 (0.45) HSD11B1NR1H3HSD11B2LMNACYP3A4
SCHEMBL17507603 0.71 IL1B (0.40) LMNASMN1; SMN2BCHEACHENR1H4
SCHEMBL9883012 0.70 ALDH1A1 (0.42) CYP3A4ACHEPTPN1ALDH1A1
SCHEMBL22922221 0.69 HSD11B1 (0.44) HSD11B1NR1H3HSD11B2LMNACYP3A4

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