SCHEMBL22561040

SCHEMBL22561040

C=C(COC)C(=O)OCCOc1ccc(-c2ccc(OCCOC)cc2)cc1OC(=O)C(=C)COC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK2 O96017 1/20 0.38
▸ PPARG P37231 1/20 0.36
▸ PPARD Q03181 1/20 0.36
▸ PPARA Q07869 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ CHEK1 O14757 2/20 0.35
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ PDE4A P27815 2/20 0.34
▸ PDE4B Q07343 2/20 0.34
▸ PDE4C Q08493 2/20 0.34
▸ PDE4D Q08499 2/20 0.34
▸ PRKAB2 O43741 1/20 0.34
▸ PRKAG1 P54619 1/20 0.34
▸ PRKAA2 P54646 1/20 0.34
▸ PRKAA1 Q13131 1/20 0.34

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
SCHEMBL22459566 0.98 PPARG (0.37) CHEK2PPARGPPARDPPARALMNA
SCHEMBL22561125 0.95 PDE4A (0.37) TSHRMAPK1RECQLHSD17B10MAPT
SCHEMBL22459241 0.93 PDE4A (0.39) CHEK2PPARGPPARDPPARALMNA
SCHEMBL22459608 0.93 PDE4A (0.38) MAPTPDE4APDE4BPDE4CPDE4D
SCHEMBL22459543 0.92 POLB (0.40) CHEK2PPARGPPARDPPARATSHR
SCHEMBL22459572 0.92 POLB (0.43) CHEK2PPARGPPARDPPARATSHR
SCHEMBL22459264 0.92 PDE4A (0.36) MAPTPDE4APDE4BPDE4CPDE4D
SCHEMBL22459813 0.89 CHEK2 (0.36) CHEK2PPARGPPARDPPARATSHR
SCHEMBL22459811 0.88 EGFR (0.40) CHEK2PPARGPPARDPPARAMAPT
SCHEMBL22459285 0.87 EGFR (0.39) CHEK2PPARGPPARDPPARALMNA

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-3725764-A1 POLYMERIZABLE COMPOUND HAVING METHOXYMETHYL ACRYLIC GROUP, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE JNC Corporation (JP) 2020-10-21 — — EP disclosed
Send feedback