SCHEMBL28466912

SCHEMBL28466912

COC(=O)CCC1CCc2c(C)c(O)c(C)c(C)c2O1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 2/20 0.41
▸ PTGS1 P23219 1/20 0.36
▸ PTGS2 P35354 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ ALOX5 P09917 7/20 0.35
▸ CAPN1 P07384 1/20 0.33
▸ IMPDH2 P12268 1/20 0.32
▸ IMPDH1 P20839 1/20 0.32
▸ ACHE P22303 1/20 0.32
▸ MAOB P27338 1/20 0.32
▸ FFAR4 Q5NUL3 1/20 0.31
▸ NR1I2 O75469 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL20822171 0.76 PTGS1 (0.38) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL9214227 0.76 MIF (0.39) SIRT2PTGS1PTGS2CYP1A2CYP3A4
SCHEMBL4277135 0.74 PTGS1 (0.43) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL18958915 0.72 MAPT (0.45) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL15833840 0.72 MAPT (0.45) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL12878881 0.71 ALOX5 (0.45) CYP3A4ALOX5MAOB
SCHEMBL5869193 0.71 ALOX5 (0.45) CYP3A4ALOX5MAOB
SCHEMBL11704913 0.70 PTGS1 (0.38) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL12713316 0.70 LMNA (0.54) ALOX5CAPN1NR1I2
SCHEMBL16382049 0.70 LMNA (0.54) ALOX5CAPN1NR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111763364-B Antioxidant ultrahigh molecular weight polyethylene powder, preparation method thereof and antioxidant ultrahigh molecular weight polyethylene irradiation crosslinked plate 中国科学院长春应用化学研究所 2021-09-21 — — CN disclosed
CN-111763364-A Antioxidant ultrahigh molecular weight polyethylene powder, preparation method thereof and antioxidant ultrahigh molecular weight polyethylene irradiation crosslinked plate 中国科学院长春应用化学研究所 2020-10-13 — — CN disclosed
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