SCHEMBL21321817

SCHEMBL21321817

C=C(CN(C)C)C(O)OCCCc1ccc(OC(O)C2CCC(CCCCC)CC2)cc1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.33
▸ GPR119 Q8TDV5 1/20 0.32
▸ S1PR2 O95136 1/20 0.32
▸ S1PR4 O95977 1/20 0.32
▸ S1PR1 P21453 1/20 0.32
▸ S1PR3 Q99500 1/20 0.32
▸ S1PR5 Q9H228 1/20 0.32
▸ ITGB3 P05106 7/20 0.32
▸ ITGA2B P08514 7/20 0.32
▸ THRB P10828 1/20 0.31
▸ PPARA Q07869 1/20 0.31
▸ ITGAV P06756 1/20 0.30
▸ CHRM2 P08172 1/20 0.30
▸ SLC6A4 P31645 1/20 0.30

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
SCHEMBL19722415 0.84 ITGB3 (0.34) HRH3GPR119ITGB3ITGA2BTHRB
SCHEMBL19722363 0.78 ITGB3 (0.35) HRH3ITGB3ITGA2BTHRBPPARA
SCHEMBL19855814 0.77 THRB (0.42) ITGB3ITGA2BTHRBPPARA
SCHEMBL21321810 0.75 SPHK1 (0.33) —
SCHEMBL19722092 0.74 SPHK1 (0.44) S1PR2S1PR4S1PR1S1PR3S1PR5
SCHEMBL19722500 0.72 THRB (0.43) S1PR1THRBPPARACHRM2SLC6A4
SCHEMBL9187734 0.71 THRB (0.43) HRH3ITGB3ITGA2BTHRBPPARA
SCHEMBL21298961 0.71 RARB (0.44) S1PR1THRBPPARACHRM2SLC6A4
SCHEMBL21298983 0.71 THRB (0.41) S1PR2S1PR4S1PR1S1PR3S1PR5
SCHEMBL23635476 0.70 CNR1 (0.41) ITGB3ITGA2BTHRB

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-3257839-B1 POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORP (JP) 2019-09-04 — — EP disclosed
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