SCHEMBL28811581

SCHEMBL28811581

CCOP(=O)(O)OCCOC

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
PPARD Q03181 2/20 0.41
TP53 P04637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CA2 P00918 2/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA9 Q16790 1/20 0.36
LPAR3 Q9UBY5 4/20 0.35
LPAR1 Q92633 2/20 0.35
LPAR2 Q9HBW0 2/20 0.35
BTN3A1 O00481 1/20 0.35

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
SCHEMBL30909319 0.94 TSHR (0.41) TSHRPPARDTP53TDP1CA2
SCHEMBL12914746 0.93 TSHR (0.48) TSHRPPARDTP53TDP1CA2
SCHEMBL497295 0.90 BTN3A1 (0.40) TSHRPPARDCA2LPAR3LPAR1
SCHEMBL2598056 0.86 TSHR (0.40) TSHRPPARDCA2LPAR3LPAR1
SCHEMBL14584196 0.86 TSHR (0.45) TSHRPPARDTP53TDP1CA2
SCHEMBL16588316 0.86 LPAR3 (0.40) TSHRCA2LPAR3LPAR1LPAR2
SCHEMBL18917019 0.86 LPAR3 (0.50) TSHRPPARDTP53TDP1LPAR3
SCHEMBL17052650 0.86 TSHR (0.42) TSHRPPARDTP53TDP1CA2
SCHEMBL14817206 0.85 LPAR3 (0.50) TSHRPPARDCA2CA12CA1
SCHEMBL14817136 0.85 LPAR3 (0.50) TSHRPPARDCA2CA12CA1

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-108603136-B Coating solution, coating formed therefrom, and coated medical device 生物相互作用有限公司 2022-07-12 CN disclosed