SCHEMBL22561041

SCHEMBL22561041

C=C(COC)C(=O)OCCCc1ccc(-c2ccc(OCCOC)cc2F)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 4/20 0.44
▸ S1PR3 Q99500 4/20 0.44
▸ FFAR1 O14842 6/20 0.40
▸ RARB P10826 2/20 0.39
▸ PTGES O14684 1/20 0.39
▸ PPARG P37231 3/20 0.38
▸ TSHR P16473 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ FFAR4 Q5NUL3 2/20 0.36
▸ CHEK2 O96017 1/20 0.36
▸ PTPN11 Q06124 1/20 0.35
▸ RARA P10276 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
SCHEMBL22459328 0.94 S1PR1 (0.41) S1PR1S1PR3FFAR1RARBPTGES
SCHEMBL22459777 0.92 RARB (0.43) S1PR1S1PR3FFAR1RARBPTGES
SCHEMBL22459611 0.88 RARB (0.43) S1PR1S1PR3FFAR1RARBPTGES
SCHEMBL22459380 0.87 PPARG (0.41) FFAR1RARBPPARGTSHRMAPK1
SCHEMBL22459238 0.87 S1PR1 (0.38) S1PR1S1PR3FFAR1RARBPTGES
SCHEMBL22459568 0.86 PPARG (0.39) S1PR1FFAR1PPARGMAPK1HSD17B10
SCHEMBL22459258 0.86 PPARG (0.41) FFAR1PPARGTSHRMAPK1RECQL
SCHEMBL22459376 0.86 POLB (0.42) S1PR1S1PR3FFAR1RARBPTGES
SCHEMBL22459320 0.85 RARB (0.41) S1PR1S1PR3RARBPTGESTSHR
SCHEMBL22459796 0.84 RARB (0.43) S1PR1S1PR3FFAR1RARBPTGES

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
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