SCHEMBL8458133

SCHEMBL8458133

N#CC=CC1CCC(CCC2CCC(c3ccc(OC(F)(F)F)cc3)CC2)CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 2/20 0.34
KDM1A O60341 3/20 0.34
RCOR1 Q9UKL0 1/20 0.34
EPHX2 P34913 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
F2R P25116 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
MAOB P27338 1/20 0.31
GRM2 Q14416 1/20 0.31
CTSL P07711 1/20 0.31
CTSB P07858 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
SLC6A4 P31645 2/20 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
SCHEMBL8458130 1.00 ESR2 (0.34) ESR2KDM1ARCOR1EPHX2JAK2
SCHEMBL8458127 1.00 ESR2 (0.34) ESR2KDM1ARCOR1EPHX2JAK2
SCHEMBL8454325 0.95 KDM1A (0.33) ESR2KDM1ARCOR1EPHX2JAK2
SCHEMBL8454328 0.95 KDM1A (0.33) ESR2KDM1ARCOR1EPHX2JAK2
SCHEMBL8454327 0.95 KDM1A (0.33) ESR2KDM1ARCOR1EPHX2JAK2
SCHEMBL8456683 0.94 L3MBTL1 (0.36) KDM1ARCOR1EPHX2JAK2JAK1
SCHEMBL8456680 0.94 L3MBTL1 (0.36) KDM1ARCOR1EPHX2JAK2JAK1
SCHEMBL8456674 0.94 L3MBTL1 (0.36) KDM1ARCOR1EPHX2JAK2JAK1
SCHEMBL8454281 0.92 L3MBTL1 (0.35) KDM1ARCOR1EPHX2JAK2JAK1
SCHEMBL8454273 0.92 L3MBTL1 (0.35) KDM1ARCOR1EPHX2JAK2JAK1

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
US-5976408-A Acrylonitrile derivative, liquid crystal composition, and liquid crystal display device CHISSO CORPORATION (JP) 1999-11-02 US disclosed
EP-0820983-A1 ACRYLONITRILE DERIVATIVES, LIQUID-CRYSTAL COMPOSITION, AND LIQUID-CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 1998-01-28 EP disclosed