SCHEMBL29934987

SCHEMBL29934987

CC1(C)CCC2(CO)CC=C3C(C)(CCC4C3(C)CCC3C(C)(C)C(=O)CCC34C)C2C1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.47
CES1 P23141 2/20 0.47
PTPN1 P18031 11/20 0.46
F3 P13726 1/20 0.46
PNLIP P16233 1/20 0.46
PTPN2 P17706 1/20 0.46
NOS2 P35228 1/20 0.46
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
AKR1B10 O60218 1/20 0.38
AKR1B1 P15121 1/20 0.38

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
Taraxerone SCHEMBL3155249 0.83 PTPN1 (0.62) CES2CES1PTPN1F3PNLIP
Taraxerone SCHEMBL23929104 0.83 PTPN1 (0.62) CES2CES1PTPN1F3PNLIP
SCHEMBL4202103 0.80 PTPN1 (0.71) PTPN1PTPN2AKR1B10AKR1B1
3-Oxo-Erythrodiol SCHEMBL18688302 0.75 CES2 (0.76) CES2CES1PTPN1F3PNLIP
SCHEMBL13666320 0.69 NOS2 (0.45) CES2CES1PTPN1F3PNLIP
SCHEMBL18214215 0.69 PTPN1 (0.39) CES2CES1PTPN1F3PNLIP
SCHEMBL12200228 0.69 NOS2 (0.45) CES2CES1PTPN1F3PNLIP
SCHEMBL15499352 0.69 NOS2 (0.45) CES2CES1PTPN1F3PNLIP
SCHEMBL15625215 0.69 NR1H4 (0.35) CES2CES1PTPN1F3PNLIP
SCHEMBL15628369 0.69 NR1H4 (0.35) CES2CES1PTPN1F3PNLIP

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