SCHEMBL7910476

SCHEMBL7910476

CCC[C@H]1CC[C@H]([C@H]2CC[C@H](COc3cc(F)c(C(F)(F)F)c(F)c3)CC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.37
PARP10 Q53GL7 2/20 0.35
PARP15 Q460N3 1/20 0.35
PDK2 Q15119 1/20 0.33
PDE2A O00408 1/20 0.32
PDE10A Q9Y233 1/20 0.32
FFAR1 O14842 3/20 0.32
MCHR1 Q99705 1/20 0.32
TLR4 O00206 1/20 0.32
KAT6A Q92794 1/20 0.31
P2RX3 P56373 1/20 0.31
P2RX2 Q9UBL9 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
SCHEMBL13002739 1.00 SCN9A (0.37) SCN9APARP10PARP15PDK2PDE2A
SCHEMBL7910473 1.00 SCN9A (0.37) SCN9APARP10PARP15PDK2PDE2A
SCHEMBL7910474 1.00 SCN9A (0.37) SCN9APARP10PARP15PDK2PDE2A
SCHEMBL13002666 0.96 SCN9A (0.39) SCN9APARP10PARP15PDK2PDE2A
SCHEMBL7911463 0.91 SCN9A (0.35) SCN9APARP10PARP15PDK2PDE2A
SCHEMBL7916918 0.89 FFAR4 (0.39) SCN9APARP10PARP15PDK2FFAR1
SCHEMBL7916916 0.89 FFAR4 (0.39) SCN9APARP10PARP15PDK2FFAR1
SCHEMBL7913388 0.89 FFAR4 (0.39) SCN9APARP10PARP15PDK2FFAR1
SCHEMBL19496733 0.88 SCN9A (0.38) SCN9APARP10PARP15PDK2PDE2A
SCHEMBL9110646 0.87 PARP10 (0.37) SCN9APARP10PARP15PDK2PDE2A

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
EP-0820976-B1 FLUORINE-SUBSTITUTED LIQUID-CRYSTAL COMPOUND, LIQUID-CRYSTAL COMPOSITION AND LIQUID-CRYSTAL DISPLAY DEVICE CHISSO CORP (JP) 2001-02-21 EP disclosed
US-6051288-A LARGE DIELECTRIC ANISOTROPY, SMALL CHANGE IN THRESHOLD VOLTAGE DEPENDING ON TEMPERATURE, AND AN IMPROVED SOLUBILITY TO OTHER LIQUID CRYSTAL MATERIALS AT LOW TEMPERATURES CHISSO CORPORATION (JP) 2000-04-18 US disclosed
EP-0820976-A1 FLUORINE-SUBSTITUTED LIQUID-CRYSTAL COMPOUND, LIQUID-CRYSTAL COMPOSITION AND LIQUID-CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 1998-01-28 EP disclosed