SCHEMBL8727231

SCHEMBL8727231

C=C[C@H]1CC[C@H]([C@H]2CC[C@H](c3ccc(COC)cc3)CC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 4/20 0.33
SPHK1 Q9NYA1 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
CYP3A4 P08684 2/20 0.32
ESR1 P03372 1/20 0.32
CYP2C9 P11712 1/20 0.32
CARM1 Q86X55 1/20 0.32
PRMT6 Q96LA8 1/20 0.32
HDAC2 Q92769 1/20 0.31
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
ALOX12 P18054 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
DRD2 P14416 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
SCHEMBL8727228 1.00 ESR2 (0.33) ESR2SPHK1L3MBTL1CYP3A4ESR1
SCHEMBL8727222 1.00 ESR2 (0.33) ESR2SPHK1L3MBTL1CYP3A4ESR1
SCHEMBL8727281 0.96 L3MBTL1 (0.33) ESR2SPHK1L3MBTL1CARM1PRMT6
SCHEMBL8727265 0.96 L3MBTL1 (0.33) ESR2SPHK1L3MBTL1CARM1PRMT6
SCHEMBL8727274 0.96 L3MBTL1 (0.33) ESR2SPHK1L3MBTL1CARM1PRMT6
SCHEMBL8732539 0.95 ESR2 (0.36) ESR2SPHK1L3MBTL1CYP3A4ESR1
SCHEMBL8732542 0.95 ESR2 (0.36) ESR2SPHK1L3MBTL1CYP3A4ESR1
SCHEMBL8725114 0.95 ESR2 (0.36) ESR2SPHK1L3MBTL1CYP3A4ESR1
SCHEMBL8732537 0.95 ESR2 (0.36) ESR2SPHK1L3MBTL1CYP3A4ESR1
SCHEMBL8725107 0.95 ESR2 (0.36) ESR2SPHK1L3MBTL1CYP3A4ESR1

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