SCHEMBL28944685

SCHEMBL28944685

CC(=O)C1=CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]12C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 2/20 0.54
KCNH2 Q12809 2/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
FNTA P49354 1/20 0.52
FNTB P49356 1/20 0.52
CYP17A1 P05093 3/20 0.45
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP3A4 P08684 2/20 0.44
CASP1 P29466 1/20 0.44
CASP4 P49662 1/20 0.44
CASP5 P51878 1/20 0.44
RGS12 O14924 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
ALOX15 P16050 1/20 0.44

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
SCHEMBL9069884 0.89 NFKB1 (0.58) NFKB1KCNH2NFKB2RELAFNTA
SCHEMBL10944464 0.89 NFKB1 (0.55) NFKB1KCNH2NFKB2RELAFNTA
SCHEMBL17992570 0.87 FNTA (0.61) NFKB1KCNH2NFKB2RELAFNTA
SCHEMBL21243060 0.87 FNTA (0.61) NFKB1KCNH2NFKB2RELAFNTA
SCHEMBL8752386 0.87 FNTA (0.61) NFKB1KCNH2NFKB2RELAFNTA
SCHEMBL2120270 0.87 FNTA (0.61) NFKB1KCNH2NFKB2RELAFNTA
SCHEMBL22038641 0.87 FNTA (0.51) NFKB1KCNH2NFKB2RELAFNTA
Acetic Acid SCHEMBL2582613 0.86 FNTA (0.60) NFKB1KCNH2NFKB2RELAFNTA
SCHEMBL9717205 0.86 NFKB1 (0.50) NFKB1KCNH2NFKB2RELAFNTA
SCHEMBL12156704 0.86 FNTA (0.59) NFKB1KCNH2NFKB2RELAFNTA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4116314-B1 METHOD FOR PREPARING 16ALPHA-HYDROXYPREDNISOLONE ZHEJIANG SHENZHOU PHARMACEUTICAL COMPANY LTD (CN) 2025-10-29 EP disclosed
CN-118754925-A Defukete Synthesis method of intermediate 湖南玉新药业有限公司 2024-10-11 CN disclosed
CN-118754925-A Defukete Synthesis method of intermediate 湖南玉新药业有限公司 2024-10-11 CN disclosed
CN-114717173-B Genetically engineered strain for producing sterol side chain incomplete degradation product, construction method and application thereof 华东理工大学 2023-10-10 CN disclosed
CN-114717173-A Genetic engineering strain for producing sterol side chain incomplete degradation product and construction method and application thereof 华东理工大学 2022-07-08 CN disclosed