SCHEMBL6663468

SCHEMBL6663468

CCCCC[C@H]1CC[C@H](c2cc(F)c(C(F)(F)OCCc3ccc(OC(F)(F)F)c(F)c3)c(F)c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 6/20 0.33
HCRTR2 O43614 6/20 0.33
P2RX7 Q99572 4/20 0.33
KCNH2 Q12809 1/20 0.32
EPHX2 P34913 1/20 0.32
PDE2A O00408 2/20 0.31
SPHK1 Q9NYA1 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
SCHEMBL6664179 0.93 HCRTR1 (0.34) HCRTR1HCRTR2P2RX7KCNH2EPHX2
SCHEMBL6665395 0.90 SPHK1 (0.35) HCRTR1HCRTR2P2RX7KCNH2EPHX2
SCHEMBL6664018 0.89 SPHK1 (0.33) SPHK1
SCHEMBL6663284 0.89 SPHK1 (0.32) HCRTR1HCRTR2P2RX7KCNH2PDE2A
SCHEMBL6664204 0.89 ALOX5 (0.35) HCRTR1HCRTR2EPHX2SPHK1
SCHEMBL6661624 0.88
SCHEMBL6665632 0.85 SPHK1 (0.30) SPHK1
SCHEMBL6663816 0.84 KDM1A (0.33)
SCHEMBL6663132 0.83 ALDH1A1 (0.38) HCRTR1HCRTR2P2RX7KCNH2EPHX2
SCHEMBL6663200 0.82 CYP2C9 (0.34)

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-0893423-B1 LIQUID CRYSTAL COMPOUNDS HAVING FLUORINATED LINKAGES, LIQUID CRYSTAL COMPOSITIONS, AND LIQUID CRYSTAL DISPLAY DEVICES CHISSO CORP (JP) 2004-09-01 EP disclosed