SCHEMBL19722415

SCHEMBL19722415

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

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 9/20 0.34
▸ ITGA2B P08514 9/20 0.34
▸ THRB P10828 2/20 0.34
▸ PPARA Q07869 1/20 0.33
▸ GPR119 Q8TDV5 1/20 0.33
▸ THRA P10827 1/20 0.33
▸ ITGAV P06756 1/20 0.33
▸ CHRM2 P08172 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.32
▸ OPRM1 P35372 1/20 0.31

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
SCHEMBL19722363 0.91 ITGB3 (0.35) ITGB3ITGA2BTHRBPPARATHRA
SCHEMBL19722413 0.85 F2 (0.41) ITGB3ITGA2BTHRBTHRAHRH3
SCHEMBL19722193 0.85 ITGB3 (0.39) ITGB3ITGA2BTHRBITGAVCHRM2
SCHEMBL21321817 0.84 HRH3 (0.33) ITGB3ITGA2BTHRBPPARAGPR119
SCHEMBL19721961 0.83 SPHK1 (0.46) HRH3
SCHEMBL19722506 0.79 SPHK1 (0.48) THRBTHRA
SCHEMBL19722489 0.79 SPHK1 (0.46) ITGB3ITGA2B
SCHEMBL19855814 0.79 THRB (0.42) ITGB3ITGA2BTHRBPPARATHRA
SCHEMBL19721954 0.78 TSHR (0.41) —
SCHEMBL19722313 0.77 RAB9A (0.43) ITGB3ITGA2BTHRBGPR119THRA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018025974-A1 LIQUID-CRYSTAL DISPLAY ELEMENT AND DISPLAY DEVICE JNC株式会社 2018-02-08 — — WO disclosed
EP-3257839-A1 POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC Corporation (JP) 2017-12-20 — — EP disclosed
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