SCHEMBL14228671

SCHEMBL14228671

CO[C@@H](C)c1ccc(C2CCC(C)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 2/20 0.52
▸ NAAA Q02083 1/20 0.36
▸ HIF1A Q16665 1/20 0.34
▸ FFAR1 O14842 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ PDE2A O00408 4/20 0.32
▸ HSD11B1 P28845 2/20 0.32
▸ ACACB O00763 1/20 0.32
▸ HRH3 Q9Y5N1 1/20 0.32
▸ MCOLN3 Q8TDD5 1/20 0.31
▸ DRD2 P14416 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
SCHEMBL8750353 0.84 NAAA (0.49) NAAAALDH1A1HRH3
SCHEMBL11196166 0.78 ESR2 (0.77) ESR2DRD2
SCHEMBL6663434 0.77 ESR2 (0.42) ESR2NAAA
SCHEMBL14207673 0.76 ESR2 (0.49) ESR2HRH3MCOLN3
SCHEMBL15043506 0.76 ESR2 (0.57) ESR2FFAR1ALDH1A1PDE2AHSD11B1
SCHEMBL8771638 0.74 ESR2 (0.50) ESR2FFAR1ALDH1A1PDE2AHSD11B1
SCHEMBL8727130 0.74 FFAR1 (0.36) ESR2NAAAFFAR1ACACB
SCHEMBL15043556 0.73 ESR2 (0.46) ESR2NAAAFFAR1PDE2AACACB
SCHEMBL803244 0.73 ESR2 (0.59) ESR2ALDH1A1DRD2
SCHEMBL20805703 0.73 ESR2 (0.59) ESR2HRH3DRD2

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-1116770-B1 NEMATIC LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY USING THE SAME DAINIPPON INK & CHEMICALS (JP) 2008-04-02 — — EP disclosed
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