SCHEMBL8308799

SCHEMBL8308799

O=C(OCC1CC(COC(=O)Oc2ccccc2)S1)Oc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.38
MMP2 P08253 2/20 0.37
MMP9 P14780 2/20 0.37
MMP14 P50281 2/20 0.37
MMP8 P22894 1/20 0.37
ALDH1A1 P00352 2/20 0.37
RAB9A P51151 1/20 0.37
TDP1 Q9NUW8 2/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 2/20 0.36
ATM Q13315 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
HTT P42858 1/20 0.36
ALOX15 P16050 2/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CYP19A1 P11511 1/20 0.35

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
SCHEMBL8309536 1.00 SMN1; SMN2 (0.38) SMN1; SMN2MMP2MMP9MMP14MMP8
SCHEMBL8308800 1.00 SMN1; SMN2 (0.38) SMN1; SMN2MMP2MMP9MMP14MMP8
SCHEMBL8308796 1.00 SMN1; SMN2 (0.38) SMN1; SMN2MMP2MMP9MMP14MMP8
SCHEMBL8886064 0.84 MMP2 (0.40) SMN1; SMN2MMP2MMP9MMP14MMP8
SCHEMBL8888095 0.77 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1RAB9ATDP1GAA
SCHEMBL516278 0.77 TDP1 (0.56) SMN1; SMN2ALDH1A1TDP1
SCHEMBL8886446 0.74 MGLL (0.45) SMN1; SMN2HTT
SCHEMBL8848438 0.74 CHRNB2 (0.40) ALDH1A1MAPTGAAATML3MBTL1
SCHEMBL8848447 0.74 CHRNB2 (0.40) ALDH1A1MAPTGAAATML3MBTL1
SCHEMBL8848434 0.74 CHRNB2 (0.40) ALDH1A1MAPTGAAATML3MBTL1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0607374-B1 NOVEL CYCLIC LIPID DERIVATIVES AS POTENT PAF ANTAGONISTS PO HANG IRON & STEEL (KR) 1999-04-07 EP disclosed
US-5610310-A Cyclic lipid derivatives as potent PAF antagonists POHANG IRON & STEEL CO., LTD (KR) 1997-03-11 US disclosed
EP-0607374-A1 NOVEL CYCLIC LIPID DERIVATIVES AS POTENT PAF ANTAGONISTS POHANG IRON & STEEL CO., LTD. (KR) 1994-07-27 EP disclosed
WO-1994000447-A1 NOVEL CYCLIC LIPID DERIVATIVES AS POTENT PAF ANTAGONISTS POHANG IRON & STEEL CO., LTD. (KR) 1994-01-06 WO disclosed