SCHEMBL7727735

SCHEMBL7727735

O=C(OCC1CO1)c1cccc(CC2CO2)c1C(=O)OCC1CO1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.41
MAPK1 P28482 1/20 0.41
MGLL Q99685 6/20 0.40
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HIF1A Q16665 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
SCHEMBL20239041 0.88 DHFR (0.55) DHFRL3MBTL1MAPK1MGLLALDH1A1
SCHEMBL14718117 0.87 DHFR (0.52) DHFRL3MBTL1MAPK1MGLL
SCHEMBL8532957 0.84 DHFR (0.46) DHFRL3MBTL1MAPK1MGLLALDH1A1
SCHEMBL471847 0.83 DHFR (0.51) DHFRL3MBTL1MAPK1MGLLALDH1A1
SCHEMBL29059950 0.82 DHFR (0.40) DHFRL3MBTL1MAPK1MGLLALDH1A1
SCHEMBL2779445 0.82 DHFR (0.48) DHFRL3MBTL1MAPK1MGLLALDH1A1
SCHEMBL1644094 0.82 DHFR (0.50) DHFRL3MBTL1MAPK1MGLL
SCHEMBL233960 0.82 ALDH1A1 (0.42) MAPK1ALDH1A1CYP3A4TSHRSMN1; SMN2
SCHEMBL21801767 0.80 DHFR (0.59) DHFRL3MBTL1MAPK1MGLLALDH1A1
SCHEMBL29374975 0.80 DHFR (0.59) DHFRL3MBTL1MAPK1MGLLALDH1A1

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
US-6403757-B1 MODIFIED POLYAMIDE RESIN OBTAINED FROM REACTION OF ACID ANHYDRIDE COMPOUND WITH EPOXY-TERMINATED POLYAMIDE KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISAH (JP) 2002-06-11 US disclosed