SCHEMBL21321985

SCHEMBL21321985

C=C(C)C(=O)OCCOc1ccc2cc3cc(CCCCC)ccc3cc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.46
▸ POLB P06746 1/20 0.45
▸ APEX1 P27695 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ THRB P10828 2/20 0.45
▸ MEN1 O00255 1/20 0.43
▸ USP2 O75604 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ CASP1 P29466 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ SLCO1B3 Q9NPD5 1/20 0.43
▸ SLCO1B1 Q9Y6L6 1/20 0.43
▸ THRA P10827 1/20 0.43
▸ PLA2G4A P47712 2/20 0.43
▸ PPARG P37231 2/20 0.42

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
SCHEMBL19722020 0.89 MEN1 (0.44) THRBMEN1USP2ALDH1A1LMNA
SCHEMBL19722617 0.88 LMNA (0.47) THRBMEN1USP2ALDH1A1LMNA
SCHEMBL19722615 0.87 THRA (0.45) THRBMEN1USP2ALDH1A1LMNA
SCHEMBL13118682 0.86 TDP1 (0.54) TSHRPOLBAPEX1HTTTDP1
SCHEMBL67938 0.85 MEN1 (0.59) TSHRPOLBAPEX1HTTTDP1
SCHEMBL17081959 0.84 TDP1 (0.54) TSHRPOLBAPEX1HTTTDP1
SCHEMBL15303149 0.83 TDP1 (0.56) TSHRPOLBAPEX1HTTTDP1
SCHEMBL28115017 0.82 POLB (0.57) TSHRPOLBAPEX1HTTTDP1
SCHEMBL15302790 0.82 POLB (0.63) TSHRPOLBAPEX1HTTTDP1
SCHEMBL15302794 0.82 POLB (0.59) TSHRPOLBAPEX1HTTTDP1

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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