SCHEMBL8725329

SCHEMBL8725329

C=CCCC[C@H]1CC[C@H](C2CCC(c3ccc(COCC=CC)cc3)CC2)CC1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 2/20 0.33
CYP2C9 P11712 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
MEN1 O00255 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 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
SCHEMBL8725333 1.00 ESR2 (0.33) ESR2CYP2C9ALDH1A1LMNAMAPT
SCHEMBL8725336 1.00 ESR2 (0.33) ESR2CYP2C9ALDH1A1LMNAMAPT
SCHEMBL8725326 1.00 ESR2 (0.33) ESR2CYP2C9ALDH1A1LMNAMAPT
SCHEMBL8725508 0.97 ESR2 (0.35) ESR2CYP2C9ALDH1A1LMNAMAPT
SCHEMBL8725502 0.97 ESR2 (0.35) ESR2CYP2C9ALDH1A1LMNAMAPT
SCHEMBL8725512 0.97 ESR2 (0.35) ESR2CYP2C9ALDH1A1LMNAMAPT
SCHEMBL8731469 0.96 ESR2 (0.35) ESR2CYP2C9ALDH1A1LMNAMAPT
SCHEMBL8731457 0.96 ESR2 (0.35) ESR2CYP2C9ALDH1A1LMNAMAPT
SCHEMBL8731463 0.96 ESR2 (0.35) ESR2CYP2C9ALDH1A1LMNAMAPT
SCHEMBL8731459 0.96 ESR2 (0.35) ESR2CYP2C9ALDH1A1LMNAMAPT

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-0882695-A1 BENZYL ETHER DERIVATIVES, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY CHISSO CORPORATION (JP) 1998-12-09 EP disclosed