SCHEMBL31328397

SCHEMBL31328397

CC(O)C(O)OCCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.45
SIGMAR1 Q99720 3/20 0.41
SLC18A2 Q05940 1/20 0.40
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
KCNH2 Q12809 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
TRPA1 O75762 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL16004786 0.89 IDO1 (0.48) TDP1SIGMAR1CYP2D6
SCHEMBL94897 0.84 TDP1 (0.43) TDP1SIGMAR1CA1CA2CA9
SCHEMBL574796 0.81 TRPA1 (0.41) SLC6A2SLC6A4SLC6A3TRPA1
SCHEMBL7516031 0.80 RCE1 (0.46) CYP2D6CA1CA2CA9TRPA1
SCHEMBL319274 0.80 RCE1 (0.46) CYP2D6CA1CA2CA9TRPA1
Methyl Alcohol SCHEMBL28147273 0.80 TSHR (0.44) TDP1CA1CA2CA9TSHR
SCHEMBL92354 0.79 CA1 (0.44) SIGMAR1SLC6A2SLC6A4SLC6A3CA1
SCHEMBL4449191 0.79 CA1 (0.44) SIGMAR1SLC6A2SLC6A4SLC6A3CA1
SCHEMBL27569840 0.79 TDP1 (0.46) TDP1CYP3A4CA1CA2CA9
Bromide SCHEMBL1285614 0.78 ALPL (0.36) TDP1CA1CA2CA9TRPA1

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-2025040241-A1 A SUNSCREEN COMPOSITION SYMRISE AG (DE) 2025-02-27 WO disclosed