SCHEMBL28801752

SCHEMBL28801752

O=C(O)CCOc1ccc(S(=O)(=O)Cl)cc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.59
MMP2 P08253 3/20 0.51
ALDH1A1 P00352 1/20 0.50
MCL1 Q07820 1/20 0.46
TSHR P16473 1/20 0.45
FFAR1 O14842 3/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
LMNA P02545 1/20 0.45
PPARA Q07869 2/20 0.44
ALB P02768 1/20 0.42
LTA4H P09960 1/20 0.42
MMP1 P03956 1/20 0.42
MMP3 P08254 1/20 0.42
MMP9 P14780 1/20 0.42
MMP12 P39900 1/20 0.42
MMP13 P45452 1/20 0.42
MMP14 P50281 1/20 0.42

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
SCHEMBL16607503 0.92 PPARA (0.50) L3MBTL1ALDH1A1FFAR1HTTNPSR1
SCHEMBL5316483 0.82 ALDH1A1 (0.73) ALDH1A1MCL1TSHRFFAR1
SCHEMBL4674366 0.82 DYRK1A (0.46) L3MBTL1MMP2ALDH1A1HTTLMNA
SCHEMBL1027525 0.80 MMP2 (0.45) MMP2ALDH1A1TSHRMMP1MMP3
SCHEMBL19874580 0.80 CA12 (0.52) L3MBTL1ALDH1A1TSHR
SCHEMBL19874474 0.80 CA12 (0.52) L3MBTL1ALDH1A1TSHR
SCHEMBL13570962 0.78 CA12 (0.46) L3MBTL1ALDH1A1TSHRHTTLMNA
SCHEMBL355627 0.78 L3MBTL1 (0.67) L3MBTL1MMP2ALDH1A1MCL1TSHR
SCHEMBL2513630 0.78 CA12 (0.50) L3MBTL1ALDH1A1TSHRHTT
SCHEMBL9088675 0.77 PDE3B (0.43) L3MBTL1MMP2ALDH1A1TSHRHTT

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-108779082-B Contrast agents 伯拉考成像股份公司 2022-08-02 CN disclosed