SCHEMBL29935069

SCHEMBL29935069

C=C1C(=O)OC2C1CCC1(C)C(O)CCC(C)(O)C21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 5/20 0.48
NLRP3 Q96P20 2/20 0.48
KMT2A Q03164 2/20 0.46
PAX8 Q06710 1/20 0.40
ALDH1A1 P00352 4/20 0.39
LMNA P02545 3/20 0.39
TP53 P04637 3/20 0.39
CYP3A4 P08684 3/20 0.39
MAPT P10636 3/20 0.39
NFKB1 P19838 2/20 0.39
CYP1A2 P05177 2/20 0.39
STAT6 P42226 2/20 0.39
PTGS2 P35354 2/20 0.39
MAPK1 P28482 2/20 0.39
HTT P42858 2/20 0.39
CASP1 P29466 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39

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
Ludovicin A SCHEMBL31237925 0.79 CYP19A1 (0.45) PKMNLRP3KMT2APAX8ALDH1A1
Reynosin SCHEMBL28633984 0.76 PKM (0.51) PKMNLRP3KMT2APAX8ALDH1A1
Reynosin SCHEMBL1683363 0.76 PKM (0.51) PKMNLRP3KMT2APAX8ALDH1A1
Reynosin SCHEMBL1683362 0.76 PKM (0.51) PKMNLRP3KMT2APAX8ALDH1A1
SCHEMBL14900980 0.75 PKM (0.47) PKMNLRP3KMT2APAX8ALDH1A1
SCHEMBL18334075 0.75 PKM (0.47) PKMNLRP3KMT2APAX8ALDH1A1
SCHEMBL18334098 0.74 PKM (0.51) PKMNLRP3KMT2APAX8ALDH1A1
Ludovicin B SCHEMBL31237900 0.73 PKM (0.47) PKMNLRP3KMT2APAX8ALDH1A1
SCHEMBL17147754 0.72 PKM (0.55) PKMNLRP3KMT2APAX8ALDH1A1
SCHEMBL17147746 0.72 PKM (0.55) PKMNLRP3KMT2APAX8ALDH1A1

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
US-20220291237-A1 Gene Expression Inflammatory Age and Its Uses Edifice Health, Inc. (US) 2022-09-15 US disclosed