Sugi Predict

Sugi Predict / Compounds / SCHEMBL6662312

SCHEMBL6662312

SCHEMBL6662312

CC=C[C@H]1CC[C@H](CC(F)(F)OCc2ccc([C@H]3CC[C@H](CCCCC)CC3)cc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SPHK1 Q9NYA1 13/20 0.36
▸ CYP2C9 P11712 1/20 0.33
▸ SPHK2 Q9NRA0 7/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ ESR2 Q92731 1/20 0.32

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
SCHEMBL6662299 1.00 SPHK1 (0.36) SPHK1CYP2C9SPHK2ALDH1A1LMNA
SCHEMBL6662310 1.00 SPHK1 (0.36) SPHK1CYP2C9SPHK2ALDH1A1LMNA
SCHEMBL6665459 0.94 SPHK1 (0.37) SPHK1CYP2C9SPHK2ALDH1A1LMNA
SCHEMBL6665429 0.93 SPHK1 (0.39) SPHK1CYP2C9SPHK2ALDH1A1LMNA
SCHEMBL6666448 0.93 CYP2C9 (0.39) SPHK1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL6666454 0.93 CYP2C9 (0.39) SPHK1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL6666457 0.93 CYP2C9 (0.39) SPHK1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL6665279 0.92 ESR2 (0.34) CYP2C9ESR2
SCHEMBL6665272 0.92 ESR2 (0.34) CYP2C9ESR2
SCHEMBL6665283 0.92 ESR2 (0.34) CYP2C9ESR2

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