SCHEMBL19732909

SCHEMBL19732909

Cc1cccc(C(=O)OCC2CO2)c1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.49
MGLL Q99685 5/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GLA P06280 1/20 0.41
TSHR P16473 1/20 0.39

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
SCHEMBL471847 0.92 DHFR (0.51) DHFRMGLLL3MBTL1MAPK1ALDH1A1
Phthalic Acid SCHEMBL28905512 0.91 DHFR (0.49) DHFRMGLLL3MBTL1MAPK1ALDH1A1
SCHEMBL19732910 0.89 DHFR (0.46) DHFRMGLLL3MBTL1ALDH1A1GLA
SCHEMBL27669934 0.86 DHFR (0.49) DHFRMGLLL3MBTL1MAPK1
SCHEMBL20239041 0.85 DHFR (0.55) DHFRMGLLL3MBTL1MAPK1ALDH1A1
SCHEMBL27664394 0.84 ALDH1A1 (0.42) MGLLL3MBTL1ALDH1A1GLA
SCHEMBL9770446 0.84 DHFR (0.54) DHFRMGLLL3MBTL1MAPK1ALDH1A1
SCHEMBL1714071 0.84 DHFR (0.54) DHFRMGLLL3MBTL1MAPK1ALDH1A1
SCHEMBL9105345 0.83 DHFR (0.41) DHFRMGLLL3MBTL1MAPK1ALDH1A1
SCHEMBL29763757 0.82 DHFR (0.44) DHFRMGLLL3MBTL1MAPK1ALDH1A1

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-3260444-A1 SULFONIUM BORATE SALT, ACID GENERATING AGENT AND CURABLE COMPOSITION San-Apro Ltd. (JP) 2017-12-27 EP disclosed