SCHEMBL27558802

SCHEMBL27558802

O=C(O)CCC(=O)OC(C(=O)O)C(O)C(=O)O.[AlH3].[Zn]

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP9 P14780 1/20 0.36
MMP13 P45452 1/20 0.36
KDM2A Q9Y2K7 3/20 0.35
EGLN1 Q9GZT9 2/20 0.35
KDM6B O15054 1/20 0.35
KDM5C P41229 1/20 0.35
PHF8 Q9UPP1 1/20 0.35
SRC P12931 1/20 0.35
LMNA P02545 2/20 0.35
ALKBH5 Q6P6C2 1/20 0.35
SUCNR1 Q9BXA5 1/20 0.35
TET2 Q6N021 3/20 0.34
KDM4A O75164 2/20 0.34
KDM4C Q9H3R0 2/20 0.34
TET3 O43151 1/20 0.34
TSHR P16473 1/20 0.33

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
SCHEMBL94758 0.96 MMP1 (0.38) MMP1MMP2MMP3MMP9MMP13
Cadaverine Tartrate SCHEMBL6754064 0.94 TSHR (0.40) MMP1MMP2MMP3MMP9MMP13
SCHEMBL1168152 0.90 MMP1 (0.42) MMP1MMP2MMP3MMP9MMP13
SCHEMBL1864892 0.85 LMNA (0.42) MMP1MMP2MMP3MMP9MMP13
SCHEMBL3749621 0.85 TSHR (0.45) MMP1MMP2MMP3MMP9MMP13
SCHEMBL68486 0.83 LMNA (0.45) MMP1MMP2MMP3MMP9MMP13
SCHEMBL3749627 0.82 MMP1 (0.39) MMP1MMP2MMP3MMP9MMP13
SCHEMBL14935874 0.82 LMNA (0.39) MMP1MMP2MMP3MMP9MMP13
SCHEMBL9548469 0.81 TSHR (0.36) MMP1MMP2MMP3MMP9MMP13
SCHEMBL27860849 0.80 LMNA (0.42) MMP1MMP2MMP3MMP9MMP13

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-1314384-C Oral cavity nursing agent UNIV SOUTHERN MEDICAL (CN) 2007-05-09 CN disclosed
CN-1778288-A Oral cavity nursing agent UNIV NANFANG MEDICAL (CN) 2006-05-31 CN disclosed