SCHEMBL30337082

SCHEMBL30337082

COC(=O)c1cc(Cl)c(C(=O)O)cc1I

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.45
CFTR P13569 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.40
LMNA P02545 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ABL1 P00519 1/20 0.40
HPGD P15428 4/20 0.40
HTT P42858 2/20 0.39
ALDH1A1 P00352 4/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
CASP1 P29466 1/20 0.39
KDM4E B2RXH2 4/20 0.39
NR4A2 P43354 1/20 0.39
HSD17B10 Q99714 1/20 0.38
POLB P06746 2/20 0.38
MAPT P10636 2/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL28972569 1.00 GAA (0.45) GAACFTRSMN1; SMN2LMNAMEN1
SCHEMBL11222239 0.87 GAA (0.51) GAASMN1; SMN2LMNAMEN1KMT2A
SCHEMBL14666358 0.83 CFTR (0.53) GAACFTRLMNAABL1HPGD
SCHEMBL21857249 0.82 GAA (0.50) GAACFTRSMN1; SMN2LMNAMEN1
SCHEMBL2849661 0.80 CFTR (0.45) GAACFTRSMN1; SMN2LMNAMEN1
SCHEMBL852879 0.80 GAA (0.51) GAASMN1; SMN2LMNAMEN1KMT2A
SCHEMBL11308122 0.79 GAA (0.66) GAASMN1; SMN2LMNAMEN1KMT2A
SCHEMBL30337032 0.79 LCK (0.47) GAASMN1; SMN2LMNAMEN1KMT2A
SCHEMBL3681759 0.79 LCK (0.47) GAASMN1; SMN2LMNAMEN1KMT2A
SCHEMBL70011 0.79 GAA (0.58) GAASMN1; SMN2LMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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