SCHEMBL6750673

SCHEMBL6750673

CCCC1CCC(C2CCC(COC(=O)C(F)(F)F)CC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 2/20 0.38
CYP2C9 P11712 1/20 0.34
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
CNR2 P34972 3/20 0.32
KMT2A Q03164 1/20 0.32
MLYCD O95822 1/20 0.31
CES2 O00748 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
SCHEMBL6751283 0.87 TLR4 (0.38) TLR4CYP2C9ALDH1A1LMNAMAPT
SCHEMBL28052660 0.84 LMNA (0.37) LMNACNR2
SCHEMBL6746586 0.81 TLR4 (0.38) TLR4CYP2C9ALDH1A1LMNAMAPT
SCHEMBL26358020 0.80 ALDH1A1 (0.38) TLR4CYP2C9ALDH1A1LMNAMAPT
SCHEMBL19335252 0.80 CNR2 (0.34) LMNACNR2
SCHEMBL24326600 0.77 CYP2C9 (0.39) TLR4CYP2C9ALDH1A1LMNAMAPT
SCHEMBL6746655 0.77 TLR4 (0.32) TLR4
SCHEMBL12154173 0.76 TSHR (0.42) TLR4CYP2C9ALDH1A1LMNAMAPT
SCHEMBL28705014 0.76 SLC1A3 (0.33) LMNACNR2
SCHEMBL10150825 0.75 LMNA (0.50) LMNAKMT2AMLYCD

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-6685995-B1 LOW VOLTAGE, WIDE TEMPERATURE RANGE DRIVING; HIGH SPEED RESPONSE CHISSO CORPORATION (JP) 2004-02-03 US disclosed
EP-1053996-A1 ESTER COMPOUNDS, LIQUID CRYSTAL COMPOSITIONS AND LIQUID CRYSTAL DISPLAY DEVICES CHISSO CORPORATION (JP) 2000-11-22 EP disclosed