SCHEMBL29524845

SCHEMBL29524845

COc1cc(/C=C/C(=O)O[C@H]2CC[C@@]34C[C@@]35CC[C@]3(C)[C@@H]([C@H](C)CCC(C)=C(C)C)CC[C@@]3(C)[C@@H]5CC[C@H]4C2(C)C)ccc1O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.63
▸ KMT2A Q03164 1/20 0.63
▸ RELA Q04206 1/20 0.49
▸ KDM4E B2RXH2 2/20 0.48
▸ MAPT P10636 2/20 0.48
▸ GAA P10253 2/20 0.48
▸ XBP1 P17861 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ SLC10A1 Q14973 1/20 0.43
▸ ACLY P53396 2/20 0.41
▸ ACACA Q13085 2/20 0.41
▸ PTPN1 P18031 1/20 0.40
▸ PTPN11 Q06124 1/20 0.39
▸ ELANE P08246 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ EPHX2 P34913 1/20 0.37
▸ MAOB P27338 1/20 0.37
▸ GYS2 P54840 1/20 0.37
▸ PLCG1 P19174 2/20 0.37

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
SCHEMBL12152371 1.00 MEN1 (0.63) MEN1KMT2ARELAKDM4EMAPT
SCHEMBL10048593 0.94 KMT2A (0.56) MEN1KMT2ARELAKDM4EMAPT
SCHEMBL12152369 0.91 MEN1 (0.76) MEN1KMT2ARELAKDM4EMAPT
SCHEMBL23484310 0.91 MEN1 (0.76) MEN1KMT2ARELAKDM4EMAPT
SCHEMBL6438953 0.91 MEN1 (0.76) MEN1KMT2ARELAKDM4EMAPT
SCHEMBL10017464 0.90 MEN1 (0.54) MEN1KMT2ARELAKDM4EMAPT
Gamma Oryzanol SCHEMBL21235210 0.90 MEN1 (0.60) MEN1KMT2ARELAKDM4EMAPT
Gamma Oryzanol SCHEMBL29354302 0.90 MEN1 (0.60) MEN1KMT2ARELAKDM4EMAPT
Gamma Oryzanol SCHEMBL23105398 0.90 MEN1 (0.60) MEN1KMT2ARELAKDM4EMAPT
Gamma Oryzanol SCHEMBL29357024 0.90 MEN1 (0.60) MEN1KMT2ARELAKDM4EMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024025465-A1 METHODS OF HYDROLYSIS WILMAR INTERNATIONAL LIMITED (SG) 2024-02-01 — — WO disclosed
EP-3508471-B1 METHOD FOR PRODUCING MICROPARTICLES FROM PRESSURIZED AND HEATED STARTING MATERIAL SOLUTION M TECHNIQUE CO LTD (JP) 2022-04-20 — — EP disclosed
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