SCHEMBL14959600

SCHEMBL14959600

O=Cc1cccc2c(C(=O)OCC3CO3)cccc12

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.43
MAPK1 P28482 1/20 0.43
MGLL Q99685 5/20 0.41
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 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
SCHEMBL4146344 0.89 DHFR (0.62) DHFRL3MBTL1MAPK1MGLLALDH1A1
SCHEMBL14959605 0.88 DHFR (0.47) DHFRL3MBTL1MAPK1MGLLALDH1A1
SCHEMBL14871534 0.86 DHFR (0.51) DHFRL3MBTL1MAPK1MGLLALDH1A1
SCHEMBL1715144 0.83 DHFR (0.59) DHFRL3MBTL1MAPK1MGLL
SCHEMBL31530692 0.83 DHFR (0.59) DHFRL3MBTL1MAPK1MGLL
SCHEMBL14959604 0.83 DHFR (0.49) DHFRL3MBTL1MAPK1MGLLALDH1A1
SCHEMBL9153659 0.81 DHFR (0.60) DHFRL3MBTL1MAPK1MGLLALDH1A1
SCHEMBL21801767 0.78 DHFR (0.59) DHFRL3MBTL1MAPK1MGLLALDH1A1
SCHEMBL29374975 0.78 DHFR (0.59) DHFRL3MBTL1MAPK1MGLLALDH1A1
SCHEMBL121520 0.78 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-8445175-B2 Composition containing hydroxylated condensation resin for forming resist underlayer film NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-05-21 US disclosed