SCHEMBL29132467

SCHEMBL29132467

C=C(C)C(=O)OCCO.O=C(O)/C=C\C(=O)OCCO

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 9/20 0.53
TSHR P16473 4/20 0.44
THRB P10828 1/20 0.43
ATM Q13315 1/20 0.39
TDP1 Q9NUW8 2/20 0.36
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
HTT P42858 1/20 0.36
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 1/20 0.33
MAPT P10636 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
Fumaric Acid SCHEMBL690033 0.93 THRB (0.48) HCAR2TSHRTHRBTDP1POLB
Maleic Acid SCHEMBL690032 0.93 THRB (0.48) HCAR2TSHRTHRBTDP1POLB
Fumaric Acid SCHEMBL28356830 0.93 THRB (0.48) HCAR2TSHRTHRBTDP1POLB
SCHEMBL1886812 0.91 HCAR2 (0.58) HCAR2TSHRTHRBATMTDP1
SCHEMBL5082364 0.91 HCAR2 (0.58) HCAR2TSHRTHRBATMTDP1
SCHEMBL194313 0.91 HCAR2 (0.58) HCAR2TSHRTHRBATMTDP1
SCHEMBL29132465 0.91 THRB (0.52) HCAR2TSHRTHRBATMTDP1
SCHEMBL698817 0.91 HCAR2 (0.58) HCAR2TSHRTHRBATMTDP1
SCHEMBL29132466 0.90 HCAR2 (0.56) HCAR2TSHRTHRBATMTDP1
Methacrylic Acid SCHEMBL28349796 0.90 HCAR2 (0.56) HCAR2TSHRATMTDP1ALDH1A1

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-117203187-A Compound, curable composition, and cured product 株式会社ADEKA 2023-12-08 CN disclosed