SCHEMBL19722363

SCHEMBL19722363

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 9/20 0.35
▸ ITGA2B P08514 9/20 0.35
▸ THRB P10828 2/20 0.35
▸ PPARA Q07869 1/20 0.34
▸ ITGAV P06756 1/20 0.33
▸ CHRM2 P08172 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ SPHK1 Q9NYA1 1/20 0.32
▸ THRA P10827 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ CASP1 P29466 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ SLCO1B3 Q9NPD5 1/20 0.32

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 0.91 ITGB3 (0.34) ITGB3ITGA2BTHRBPPARAITGAV
SCHEMBL19722362 0.85 F2 (0.43) ITGB3ITGA2BTHRBHRH3THRA
SCHEMBL19722319 0.85 ITGB3 (0.41) ITGB3ITGA2BTHRBITGAVCHRM2
SCHEMBL19721820 0.82 SPHK1 (0.44) ITGB3ITGA2BHRH3SPHK1ALDH1A1
SCHEMBL19722554 0.82 SPHK1 (0.43) ITGB3ITGA2BHRH3SPHK1ALDH1A1
SCHEMBL19722051 0.82 SPHK1 (0.43) ITGB3ITGA2BHRH3SPHK1ALDH1A1
SCHEMBL19722392 0.81 S1PR1 (0.37) ITGB3ITGA2B
SCHEMBL19856153 0.80 ITGB3 (0.37) ITGB3ITGA2BTHRBSPHK1THRA
SCHEMBL19722155 0.80 SPHK1 (0.42) SPHK1ALDH1A1LMNA
SCHEMBL19722414 0.80 SPHK1 (0.42) ITGB3ITGA2BHRH3SPHK1ALDH1A1

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