SCHEMBL31364096

SCHEMBL31364096

Cc1ccc(C(C)C)c(OS(C)(=O)=O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
LMNA P02545 3/20 0.44
TRPA1 O75762 1/20 0.44
CHRM1 P11229 1/20 0.44
SLC6A2 P23975 1/20 0.44
ADRA1A P35348 1/20 0.44
HTR2B P41595 1/20 0.44
GALR3 O60755 1/20 0.44
NR2F2 P24468 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL235717 0.84 LMNA (0.47) KDM4EALDH1A1TDP1LMNATRPA1
SCHEMBL17318151 0.84 TSHR (0.45) CA1CA2CA9KDM4EALDH1A1
SCHEMBL11102517 0.82 CA1 (0.42) CA1CA2CA9KDM4EALDH1A1
SCHEMBL11102510 0.82 CA1 (0.42) CA1CA2CA9KDM4EALDH1A1
SCHEMBL3099031 0.80 ALDH1A1 (0.44) CA1CA2CA9KDM4EALDH1A1
SCHEMBL29878896 0.80 ALDH1A1 (0.44) CA1CA2CA9KDM4EALDH1A1
SCHEMBL6937345 0.77 CA1 (0.55) CA1CA2CA9KDM4EALDH1A1
SCHEMBL15249772 0.77 MEN1 (0.50) KDM4EALDH1A1TDP1LMNATRPA1
SCHEMBL9463062 0.77 LMNA (0.54) KDM4EALDH1A1TDP1LMNATRPA1
SCHEMBL11043528 0.77 LMNA (0.54) KDM4EALDH1A1TDP1LMNATRPA1

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-119642200-A Decomposition treatment method of straw and application of decomposed straw 湖北华扬科技发展有限公司 2025-03-18 CN disclosed