SCHEMBL28660633

SCHEMBL28660633

C=CC(=O)OC(C)C(O)CC(C)(Cc1ccccc1)CC(O)C(C)OC(=O)C=C

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
TRPA1 O75762 1/20 0.40
THRB P10828 3/20 0.38
TSHR P16473 2/20 0.37
THRA P10827 1/20 0.35
ABCB1 P08183 3/20 0.35
CASR P41180 1/20 0.35
TACR3 P29371 1/20 0.34
MMP8 P22894 2/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
HIF1A Q16665 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CTSK P43235 1/20 0.33

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
SCHEMBL27954098 0.79 THRB (0.44) ALDH1A1CYP2C9CYP2C19TRPA1THRB
SCHEMBL6267673 0.76 CYP3A4 (0.47) ALDH1A1CYP3A4CYP2C9CYP2C19TRPA1
SCHEMBL28496696 0.74 THRB (0.50) THRBABCB1
SCHEMBL9646933 0.72 CTSK (0.47) TRPA1THRBTSHRMEN1KMT2A
SCHEMBL21812152 0.72 TSHR (0.37) ALDH1A1CYP3A4CYP2C9CYP2C19THRB
SCHEMBL10959668 0.72 TSHR (0.46) ALDH1A1CYP3A4CYP2C9CYP2C19THRB
SCHEMBL7895046 0.72 ALDH1A1 (0.44) ALDH1A1CYP3A4CYP2C9CYP2C19THRB
SCHEMBL3248705 0.71 CYP3A4 (0.54) ALDH1A1CYP3A4CYP2C9CYP2C19TRPA1
SCHEMBL3248877 0.71 CYP2C19 (0.50) ALDH1A1CYP3A4CYP2C9CYP2C19TRPA1
SCHEMBL35051 0.70 TSHR (0.54) ALDH1A1CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114008093-B Antimicrobial polymer particles, compositions and articles 株式会社GC 2023-02-03 CN disclosed
CN-114008093-A Antimicrobial polymer particles, compositions and articles 株式会社GC 2022-02-01 CN disclosed
CN-113677309-A Two-component curable dental composition 株式会社GC 2021-11-19 CN disclosed