SCHEMBL8726882

SCHEMBL8726882

C=CC[C@H]1CC[C@H](C2CCC(C3CCC(c4ccc(COC)cc4)CC3)CC2)CC1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 9/20 0.36
ESR1 P03372 6/20 0.36
CYP2C9 P11712 3/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 1/20 0.33
SPHK1 Q9NYA1 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CARM1 Q86X55 1/20 0.30
PRMT6 Q96LA8 1/20 0.30
SGPL1 O95470 1/20 0.30
S1PR1 P21453 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
SCHEMBL8725153 1.00 ESR2 (0.36) ESR2ESR1CYP2C9CYP3A4CYP2D6
SCHEMBL8726888 1.00 ESR2 (0.36) ESR2ESR1CYP2C9CYP3A4CYP2D6
SCHEMBL8726894 1.00 ESR2 (0.36) ESR2ESR1CYP2C9CYP3A4CYP2D6
SCHEMBL8725148 1.00 ESR2 (0.36) ESR2ESR1CYP2C9CYP3A4CYP2D6
SCHEMBL8725156 1.00 ESR2 (0.36) ESR2ESR1CYP2C9CYP3A4CYP2D6
SCHEMBL8725327 0.96 ESR2 (0.39) ESR2ESR1CYP2C9CYP3A4CYP2D6
SCHEMBL8725331 0.96 ESR2 (0.39) ESR2ESR1CYP2C9CYP3A4CYP2D6
SCHEMBL8728563 0.94 ESR2 (0.37) ESR2ESR1CYP2C9CYP3A4CYP2D6
SCHEMBL8728558 0.94 ESR2 (0.37) ESR2ESR1CYP2C9CYP3A4CYP2D6
SCHEMBL8728570 0.94 ESR2 (0.37) ESR2ESR1CYP2C9CYP3A4CYP2D6

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