SCHEMBL29029409

SCHEMBL29029409

CCCCC=C1C(=O)OC1=O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
TYR P14679 2/20 0.41
PPARG P37231 2/20 0.39
TRPA1 O75762 1/20 0.36
CDC25A P30304 7/20 0.36
CDC25B P30305 7/20 0.36
CDC25C P30307 6/20 0.36
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
ABHD16A O95870 1/20 0.34
ALDH1A1 P00352 1/20 0.33
CCR6 P51684 1/20 0.33
KDM4E B2RXH2 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL26089455 0.91 TYR (0.50) TSHRTYRPPARGCDC25ACDC25B
SCHEMBL27572070 0.87 TYR (0.50) TSHRTYRPPARGCDC25ACDC25B
SCHEMBL27825897 0.87 TYR (0.50) TSHRTYRPPARGCDC25ACDC25B
SCHEMBL27636950 0.87 TYR (0.50) TSHRTYRPPARGCDC25ACDC25B
SCHEMBL27580145 0.87 TYR (0.50) TSHRTYRPPARGCDC25ACDC25B
SCHEMBL27267330 0.81 TRPA1 (0.47) TSHRTYRPPARGTRPA1CDC25A
SCHEMBL20786806 0.81 PTPN1 (0.46) TSHRTYRPPARGCDC25BALDH1A1
SCHEMBL28623282 0.76 TRPA1 (0.43) TSHRTYRPPARGTRPA1ALDH1A1
SCHEMBL7162134 0.74 MIF (0.48) TSHRTRPA1ALDH1A1RAB9A
SCHEMBL6666735 0.74 TRPA1 (0.42) PPARGTRPA1ALDH1A1

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-116375951-A Early-strength water reducer and preparation method thereof 科之杰新材料集团(贵州)有限公司 2023-07-04 CN claimed
CN-116375951-A Early-strength water reducer and preparation method thereof 科之杰新材料集团(贵州)有限公司 2023-07-04 CN disclosed