SCHEMBL9565258

SCHEMBL9565258

O=C(O)C(=O)c1ccc(OCc2ccccc2)c2[nH]c(=O)ccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MAPT P10636 2/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
SRD5A2 P31213 1/20 0.41
FOLH1 Q04609 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP12 P39900 1/20 0.39
PIK3CG P48736 1/20 0.39
SGMS2 Q8NHU3 2/20 0.39
MGLL Q99685 1/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 1/20 0.38
MDH2 P40926 1/20 0.38
MCL1 Q07820 1/20 0.38

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
SCHEMBL98338 0.88 MAPT (0.54) SMN1; SMN2L3MBTL1MAPTCYP2C9CYP2C19
SCHEMBL29498305 0.88 MAPT (0.54) SMN1; SMN2L3MBTL1MAPTCYP2C9CYP2C19
SCHEMBL1205431 0.85 SMN1; SMN2 (0.41) SMN1; SMN2L3MBTL1MAPTCYP2C9CYP2C19
SCHEMBL18993738 0.85 SMN1; SMN2 (0.41) SMN1; SMN2L3MBTL1MAPTCYP2C9CYP2C19
SCHEMBL867483 0.85 SMN1; SMN2 (0.41) SMN1; SMN2L3MBTL1MAPTCYP2C9CYP2C19
SCHEMBL18993737 0.85 SMN1; SMN2 (0.41) SMN1; SMN2L3MBTL1MAPTCYP2C9CYP2C19
SCHEMBL99439 0.85 HPGDS (0.44) SMN1; SMN2L3MBTL1MAPTCYP2C9CYP2C19
SCHEMBL28694265 0.84 MAPT (0.43) SMN1; SMN2L3MBTL1MAPTCYP2C9CYP2C19
SCHEMBL9652415 0.82 ADRB2 (0.44) SRD5A2ADORA3PIK3CGMCL1
SCHEMBL28690748 0.81 L3MBTL1 (0.40) SMN1; SMN2L3MBTL1MAPTCYP2C9CYP2C19

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
EP-0544958-A1 Cephalosporin compounds and processes for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1993-06-09 EP disclosed