SCHEMBL8533584

SCHEMBL8533584

O=C(O)CC(CC(=O)O)C(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 6/20 0.55
MMP9 P14780 6/20 0.55
MMP12 P39900 6/20 0.55
MMP14 P50281 2/20 0.55
MMP15 P51511 1/20 0.55
MMP16 P51512 1/20 0.55
MMP26 Q9NRE1 1/20 0.55
SMN1; SMN2 Q16637 4/20 0.52
LMNA P02545 3/20 0.52
FFAR1 O14842 2/20 0.52
CYP1A2 P05177 1/20 0.52
RAB9A P51151 1/20 0.52
HIF1A Q16665 1/20 0.52
MMP13 P45452 1/20 0.49
MAPT P10636 3/20 0.48
PTPN1 P18031 1/20 0.48
GSK3B P49841 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MMEL1 Q495T6 1/20 0.48
ALDH1A1 P00352 2/20 0.47

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
SCHEMBL27497689 0.85 MMP2 (0.50) MMP2MMP9MMP12MMP14MMP15
SCHEMBL11795699 0.83 MMP2 (0.51) MMP2MMP9MMP12MMP14SMN1; SMN2
SCHEMBL11405755 0.81 PTPN1 (0.50) MMP2MMP9MMP12MMP14SMN1; SMN2
SCHEMBL8535927 0.79 ALDH1A1 (0.49) MMP2MMP9MMP12MMP14MMP15
SCHEMBL8114344 0.77 MMP2 (0.73) MMP2MMP9MMP12MMP14MMP15
SCHEMBL5499422 0.76 FFAR1 (0.59) MMP2MMP9MMP12MMP14LMNA
SCHEMBL8120164 0.76 MMP2 (0.71) MMP2MMP9MMP12MMP14MMP15
SCHEMBL1164038 0.75 SMN1; SMN2 (0.56) SMN1; SMN2LMNAFFAR1CYP1A2RAB9A
SCHEMBL27992180 0.74 MMP2 (0.59) MMP2MMP9MMP12MMP14MMP15
SCHEMBL11139907 0.74 NPC1 (0.54) MMP2MMP9MMP12SMN1; SMN2LMNA

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-1216522-A Therapeutic agent for diabetes JAPAN TOBACCO INC (JP) 1999-05-12 CN disclosed
EP-0885869-A1 THERAPEUTIC AGENT FOR DIABETES Japan Tobacco Inc. (JP) 1998-12-23 EP disclosed