SCHEMBL31473107

SCHEMBL31473107

COC(=O)c1ccc(O)c(O)c1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.57
CA1 P00915 4/20 0.57
CA2 P00918 4/20 0.57
CA7 P43166 4/20 0.57
CA9 Q16790 4/20 0.57
CA14 Q9ULX7 4/20 0.57
PDK2 Q15119 1/20 0.57
PDK4 Q16654 1/20 0.57
SELL P14151 1/20 0.56
SELP P16109 1/20 0.56
LMNA P02545 2/20 0.55
TSHR P16473 1/20 0.55
GAA P10253 2/20 0.53
KDM4E B2RXH2 3/20 0.49
MAPT P10636 2/20 0.49
MITF O75030 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
XDH P47989 2/20 0.48
LCK P06239 1/20 0.47
HDAC1 Q13547 1/20 0.47

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
SCHEMBL947039 1.00 CA12 (0.57) CA12CA1CA2CA7CA9
SCHEMBL3173889 0.91 CA12 (0.59) CA12CA1CA2CA7CA9
Methyl 2,3-Dihydroxybenzoate SCHEMBL433982 0.85 LMNA (0.70) CA12CA1CA2CA7CA9
SCHEMBL3761829 0.83 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL2590792 0.83 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL160492 0.83 CA12 (0.55) CA12CA1CA2CA7CA9
SCHEMBL1538272 0.83 CA12 (0.61) CA12CA1CA2CA7CA9
SCHEMBL30466430 0.83 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL3181067 0.83 SELL (0.56) CA12CA1CA2CA7CA9
SCHEMBL9701195 0.82 SELL (0.60) SELLSELPKDM4EMAPTHDAC1

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-115175905-B ZESTE enhancer homolog 2 inhibitors and uses thereof 西藏海思科制药有限公司 2025-03-25 CN disclosed