SCHEMBL25802129

SCHEMBL25802129

COC(=O)[C@H](C)OCCCCCOCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.48
TDP1 Q9NUW8 1/20 0.48
EPHX2 P34913 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
HTT P42858 1/20 0.44
NAAA Q02083 1/20 0.44
MMP3 P08254 4/20 0.43
MMP8 P22894 4/20 0.43
MMP9 P14780 3/20 0.43
MMP1 P03956 3/20 0.43
TSHR P16473 1/20 0.42
MAPT P10636 1/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41

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
SCHEMBL25802071 0.88 L3MBTL1 (0.53) L3MBTL1TDP1EPHX2SMN1; SMN2HTT
SCHEMBL25802091 0.87 L3MBTL1 (0.48) L3MBTL1TDP1EPHX2SMN1; SMN2HTT
SCHEMBL584760 0.82 ALDH1A1 (0.52) L3MBTL1TDP1MMP8MMP9MAPT
SCHEMBL2384186 0.82 ALDH1A1 (0.52) L3MBTL1TDP1MMP8MMP9MAPT
SCHEMBL584761 0.82 ALDH1A1 (0.52) L3MBTL1TDP1MMP8MMP9MAPT
SCHEMBL25802112 0.80 TLR2 (0.48) L3MBTL1TDP1TSHRALDH1A1
SCHEMBL25120992 0.80 MMP3 (0.50) L3MBTL1TDP1EPHX2SMN1; SMN2HTT
SCHEMBL29101958 0.80 ALDH1A1 (0.50) L3MBTL1TDP1SMN1; SMN2HTTTSHR
SCHEMBL16672752 0.79 MAPT (0.48) L3MBTL1TDP1SMN1; SMN2TSHRMAPT
SCHEMBL31411104 0.79 L3MBTL1 (0.51) L3MBTL1TDP1EPHX2SMN1; SMN2TSHR

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
WO-2023125738-A1 LIPID AND COMPOSITION USED FOR DELIVERY 江苏恒瑞医药股份有限公司 2023-07-06 WO disclosed