SCHEMBL30337032

SCHEMBL30337032

COC(=O)c1cc(Cl)c(C(=O)O)cc1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.47
FYN P06241 1/20 0.47
GAA P10253 1/20 0.45
SOS1 Q07889 1/20 0.43
HSD17B10 Q99714 3/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA3 P07451 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA13 Q8N1Q1 1/20 0.41
CISD1 Q9NZ45 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
KMT2A Q03164 3/20 0.40
TSHR P16473 2/20 0.40

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
SCHEMBL3681759 1.00 LCK (0.47) LCKFYNGAASOS1HSD17B10
SCHEMBL16869865 0.93 LCK (0.51) LCKFYNGAASOS1HSD17B10
SCHEMBL8378560 0.91 GAA (0.49) LCKFYNGAASOS1CA12
SCHEMBL2319843 0.87 LCK (0.60) LCKFYNGAASOS1HSD17B10
SCHEMBL11222239 0.87 GAA (0.51) GAAHSD17B10CA12CA1CA2
SCHEMBL29633948 0.87 LCK (0.60) LCKFYNGAASOS1HSD17B10
SCHEMBL31218239 0.86 GAA (0.45) LCKFYNGAASOS1CA12
SCHEMBL31301254 0.84 GAA (0.49) LCKFYNGAASOS1CA12
SCHEMBL6858908 0.83 CA12 (0.50) LCKFYNHSD17B10CA12CA1
SCHEMBL197110 0.83 SOS1 (0.50) LCKFYNGAASOS1HSD17B10

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117127400-A Mite-removing and moisture-absorbing fabric and preparation method thereof 薛桂芹 2023-11-28 CN claimed
CN-119143719-A Preparation method of LH-1801 key intermediate 扬州市普林斯医药科技有限公司 2024-12-17 CN disclosed
CN-115819398-B Key intermediate of SGLT2 inhibitor, and preparation method and application thereof 江苏联环药业股份有限公司 2024-06-14 CN disclosed
CN-117127400-A Mite-removing and moisture-absorbing fabric and preparation method thereof 薛桂芹 2023-11-28 CN disclosed
CN-115819398-A SGLT2 inhibitor key intermediate and preparation method and application thereof 江苏联环药业股份有限公司 2023-03-21 CN disclosed