SCHEMBL29128596

SCHEMBL29128596

CC(C(=O)Oc1ccco1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.41
MMP9 P14780 1/20 0.41
MMP12 P39900 1/20 0.41
PTGS2 P35354 2/20 0.40
PTGS1 P23219 1/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP2C19 P33261 1/20 0.40
RECQL P46063 2/20 0.38
GLA P06280 1/20 0.38
HPGD P15428 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.37
ATM Q13315 1/20 0.37
MEN1 O00255 1/20 0.37
KDM4E B2RXH2 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL5041398 0.78 MMP1 (0.44) MMP1MMP9MMP12KMT2AALDH1A1
SCHEMBL5656608 0.78 MMP1 (0.44) MMP1MMP9MMP12KMT2AALDH1A1
SCHEMBL1046956 0.75 L3MBTL1 (0.61) PTGS2PTGS1KMT2AALDH1A1L3MBTL1
SCHEMBL10029026 0.75 L3MBTL1 (0.61) PTGS2PTGS1KMT2AALDH1A1L3MBTL1
SCHEMBL15670569 0.75 MMP1 (0.42) MMP1MMP9MMP12KMT2AALDH1A1
SCHEMBL8633653 0.75 MMP1 (0.42) MMP1MMP9MMP12KMT2AALDH1A1
SCHEMBL4223881 0.74 MMP1 (0.41) MMP1MMP9MMP12KMT2AALDH1A1
SCHEMBL15671059 0.74 MMP1 (0.41) MMP1MMP9MMP12KMT2AALDH1A1
Iodide SCHEMBL28946796 0.74 L3MBTL1 (0.59) PTGS2PTGS1KMT2AALDH1A1RECQL
SCHEMBL7504708 0.73 KMT2A (0.48) PTGS2PTGS1KMT2AL3MBTL1

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-116802492-A Improved optical transparency method for tissue samples for optical microscopy 摩比空公司 2023-09-22 CN disclosed