SCHEMBL21647280

SCHEMBL21647280

C(OCC1CO1)C1CO1.C=CC(=O)OCC(CC)(COC(=O)C=C)COC(=O)C=C

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.54
ALDH1A1 P00352 6/20 0.46
TP53 P04637 4/20 0.46
HIF1A Q16665 3/20 0.46
MAPK1 P28482 2/20 0.46
CYP3A4 P08684 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TSHR P16473 5/20 0.40
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
MGLL Q99685 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
SCHEMBL10417515 0.89 ALDH1A1 (0.53) THRBALDH1A1TP53HIF1AMAPK1
SCHEMBL6141641 0.87 ALDH1A1 (0.50) THRBALDH1A1TP53HIF1AMAPK1
SCHEMBL21373880 0.87 ALDH1A1 (0.50) THRBALDH1A1TP53HIF1AMAPK1
Propylene Oxide SCHEMBL6844507 0.85 THRB (0.55) THRBALDH1A1TP53HIF1AMAPK1
Acrylic Acid Ethyl Ester SCHEMBL10794045 0.83 ALDH1A1 (0.46) THRBALDH1A1TP53HIF1AMAPK1
SCHEMBL24899788 0.82 THRB (0.48) THRBALDH1A1TP53HIF1AMAPK1
Acrylic Acid SCHEMBL2774945 0.82 TSHR (0.46) THRBALDH1A1TP53MAPK1CYP3A4
SCHEMBL28210908 0.81 ALDH1A1 (0.50) ALDH1A1TP53HIF1AMAPK1CYP3A4
SCHEMBL25269765 0.81 ALDH1A1 (0.47) THRBALDH1A1TP53HIF1AMAPK1
SCHEMBL238953 0.81 THRB (0.70) THRBALDH1A1TP53HIF1AMAPK1

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
WO-2020027024-A1 PHOTOSENSITIVE RESIN COMPOSITION, PLATING METHOD, AND METHOD FOR PRODUCING METAL PATTERN 三菱製紙株式会社 2020-02-06 WO disclosed