SCHEMBL22038641

SCHEMBL22038641

COCC(=O)C1=CCC2C3CCC4=CC(=O)C=CC4(C)C3=CCC12C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.51
FNTB P49356 1/20 0.51
NFKB1 P19838 2/20 0.51
KCNH2 Q12809 2/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.42
CASP1 P29466 1/20 0.42
CASP4 P49662 1/20 0.42
CASP5 P51878 1/20 0.42
RGS12 O14924 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL21243060 0.91 FNTA (0.61) FNTAFNTBNFKB1KCNH2NFKB2
SCHEMBL17992570 0.91 FNTA (0.61) FNTAFNTBNFKB1KCNH2NFKB2
SCHEMBL2120270 0.91 FNTA (0.61) FNTAFNTBNFKB1KCNH2NFKB2
SCHEMBL8752386 0.91 FNTA (0.61) FNTAFNTBNFKB1KCNH2NFKB2
Acetic Acid SCHEMBL2582613 0.90 FNTA (0.60) FNTAFNTBNFKB1KCNH2NFKB2
SCHEMBL9069884 0.89 NFKB1 (0.58) FNTAFNTBNFKB1KCNH2NFKB2
SCHEMBL9073533 0.89 FNTA (0.51) FNTAFNTBNFKB1KCNH2NFKB2
SCHEMBL10944464 0.88 NFKB1 (0.55) FNTAFNTBNFKB1KCNH2NFKB2
SCHEMBL10394983 0.87 FNTA (0.49) FNTAFNTBNFKB1KCNH2NFKB2
SCHEMBL28944685 0.87 NFKB1 (0.54) FNTAFNTBNFKB1KCNH2NFKB2

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
EP-3656385-A1 NON-HORMONAL STEROID MODULATORS OF NF-KB FOR TREATMENT OF DISEASE ReveraGen BioPharma, Inc. (US) 2020-05-27 EP disclosed