SCHEMBL15420187

SCHEMBL15420187

O=C(O)c1ccc(-c2ccc(-c3cc(F)c(F)c(F)c3)c(F)c2)c(F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 1/20 0.52
ADH5 P11766 1/20 0.51
LMNA P02545 3/20 0.49
KDM4E B2RXH2 2/20 0.49
HSD17B10 Q99714 2/20 0.49
AKR1C3 P42330 2/20 0.47
AKR1C2 P52895 2/20 0.47
TTR P02766 2/20 0.46
ACMSD Q8TDX5 2/20 0.46
MEN1 O00255 1/20 0.46
USP2 O75604 1/20 0.46
ALDH1A1 P00352 1/20 0.46
DHFR P00374 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
ALB P02768 1/20 0.46
HMGB1 P09429 1/20 0.46
HPGD P15428 1/20 0.46
CXCL12 P48061 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL15419853 0.96 RARB (0.51) RARBADH5LMNAKDM4EHSD17B10
SCHEMBL6252810 0.85 RARB (0.61) RARBADH5LMNAKDM4EHSD17B10
SCHEMBL17369448 0.84 CES2 (0.48) RARBADH5LMNAKDM4EHSD17B10
SCHEMBL30189377 0.82 RARB (0.51) RARBADH5LMNAKDM4EHSD17B10
SCHEMBL26572449 0.82 BCL2L1 (0.62) RARBADH5LMNAKDM4EHSD17B10
SCHEMBL14917120 0.82 RARB (0.51) RARBADH5LMNAKDM4EHSD17B10
SCHEMBL4601444 0.81 RARB (0.49) RARBADH5LMNAKDM4EHSD17B10
SCHEMBL14213193 0.81 LMNA (0.57) RARBADH5LMNAKDM4EHSD17B10
SCHEMBL29473809 0.80 RARB (0.56) RARBADH5LMNAAKR1C3AKR1C2
SCHEMBL2041007 0.80 RARB (0.56) RARBADH5LMNAAKR1C3AKR1C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9605207-B2 Orthoester derivative, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2017-03-28 US disclosed
EP-2690103-A1 ORTHO ESTER DERIVATIVE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC Corporation (JP) 2014-01-29 EP disclosed
US-20140021407-A1 ORTHOESTER DERIVATIVE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2014-01-23 US disclosed