SCHEMBL30463131

SCHEMBL30463131

C=C1C(=O)OC2C1CCC(C)(O)C1C3OC3C(C)(O)C21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 8/20 0.47
NLRP3 Q96P20 2/20 0.47
ALDH1A1 P00352 4/20 0.40
LMNA P02545 3/20 0.40
TP53 P04637 3/20 0.40
CYP3A4 P08684 3/20 0.40
NFKB1 P19838 2/20 0.40
CYP1A2 P05177 2/20 0.40
STAT6 P42226 2/20 0.40
MAPT P10636 2/20 0.40
PTGS2 P35354 2/20 0.40
CASP1 P29466 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
THPO P40225 1/20 0.40
HTT P42858 1/20 0.40
HIF1A Q16665 1/20 0.40

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
SCHEMBL18334098 0.81 PKM (0.51) PKMNLRP3ALDH1A1LMNATP53
SCHEMBL17147754 0.79 PKM (0.55) PKMNLRP3ALDH1A1LMNATP53
SCHEMBL17147746 0.79 PKM (0.55) PKMNLRP3ALDH1A1LMNATP53
SCHEMBL21527011 0.75 PKM (0.48) PKMNLRP3ALDH1A1LMNATP53
SCHEMBL18334095 0.75 PKM (0.46) PKMNLRP3ALDH1A1LMNATP53
SCHEMBL17147744 0.75 PKM (0.46) PKMNLRP3ALDH1A1LMNATP53
SCHEMBL29935069 0.70 PKM (0.48) PKMNLRP3ALDH1A1LMNATP53
Dehydrosaussurealactone SCHEMBL14215829 0.68 PKM (0.46) PKMNLRP3ALDH1A1LMNATP53
SCHEMBL21563385 0.67 UBE2D3 (0.49) PKMNLRP3ALDH1A1LMNATP53
SCHEMBL18334075 0.67 PKM (0.47) PKMNLRP3ALDH1A1LMNATP53

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
CN-116300314-A Photosensitive resin composition 旭化成株式会社 2023-06-23 CN disclosed