SCHEMBL6661218

SCHEMBL6661218

CCC1CCC(c2ccc(C(C)OC(F)(F)c3ccc(C4CCC(CC)CC4)cc3F)cc2)CC1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.33
TRPV3 Q8NET8 1/20 0.33
APP P05067 1/20 0.33
PDE2A O00408 3/20 0.32
TACR1 P25103 2/20 0.31
CNR1 P21554 1/20 0.31
CYP2C9 P11712 1/20 0.31
KDM1A O60341 1/20 0.31
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
MEN1 O00255 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL6664959 0.96 ESR2 (0.32) TRPV1TRPV3APPPDE2A
SCHEMBL6663758 0.96 CYP2C9 (0.38) TRPV1TRPV3APPPDE2ACYP2C9
SCHEMBL6666670 0.96 ESR2 (0.32) TRPV1TRPV3APPPDE2A
SCHEMBL6665145 0.96 CYP2C9 (0.38) TRPV1TRPV3APPPDE2ACYP2C9
SCHEMBL6664190 0.93 CYP2C9 (0.32) TRPV1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL6664046 0.93 CYP2C9 (0.32) TRPV1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL6665047 0.92 CYP2C9 (0.40) APPTACR1CNR1CYP2C9KDM1A
SCHEMBL6663717 0.92 PDE2A (0.30) TRPV1PDE2A
SCHEMBL6663481 0.91 TRPV1 (0.30) TRPV1
SCHEMBL6662294 0.91 TRPV1 (0.30) TRPV1

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