SCHEMBL25802091

SCHEMBL25802091

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.48
TDP1 Q9NUW8 1/20 0.48
EPHX2 P34913 2/20 0.45
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MMP3 P08254 2/20 0.43
MMP8 P22894 2/20 0.43
MMP9 P14780 1/20 0.43
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
MMP1 P03956 1/20 0.42
CETP P11597 3/20 0.42
SLC1A1 P43005 3/20 0.42
SLC1A3 P43003 2/20 0.42
SLC1A2 P43004 2/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 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
SCHEMBL29101924 0.89 HTT (0.47) L3MBTL1HTTSMN1; SMN2SLC1A1SLC1A3
SCHEMBL29026165 0.88 SMN1; SMN2 (0.46) L3MBTL1HTTSMN1; SMN2SLC1A1SLC1A3
SCHEMBL25802129 0.87 L3MBTL1 (0.48) L3MBTL1TDP1EPHX2HTTSMN1; SMN2
SCHEMBL25802071 0.86 L3MBTL1 (0.53) L3MBTL1TDP1EPHX2HTTSMN1; SMN2
SCHEMBL31411104 0.83 L3MBTL1 (0.51) L3MBTL1TDP1EPHX2SMN1; SMN2MEN1
SCHEMBL6263485 0.82 MMP3 (0.48) L3MBTL1TDP1EPHX2HTTSMN1; SMN2
SCHEMBL28530456 0.81 LMNA (0.53) SMN1; SMN2CYP2D6CYP2C9CYP2C19KMT2A
SCHEMBL23889725 0.81 L3MBTL1 (0.47) L3MBTL1TDP1EPHX2HTTSMN1; SMN2
SCHEMBL138281 0.80 KMT2A (0.56) L3MBTL1TDP1HTTMMP8MMP9
SCHEMBL1706675 0.80 KMT2A (0.56) L3MBTL1TDP1HTTMMP8MMP9

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