SCHEMBL8732610

SCHEMBL8732610

CC=C[C@H]1CC[C@H](c2ccc(COC)cc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 1/20 0.38
ESR2 Q92731 4/20 0.35
SPHK1 Q9NYA1 3/20 0.34
MAOA P21397 2/20 0.33
MAOB P27338 2/20 0.33
ESR1 P03372 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CARM1 Q86X55 1/20 0.33
PRMT6 Q96LA8 1/20 0.33
DRD2 P14416 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
NAAA Q02083 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
SCHEMBL8732607 1.00 HDAC2 (0.38) HDAC2ESR2SPHK1MAOAMAOB
SCHEMBL8732599 1.00 HDAC2 (0.38) HDAC2ESR2SPHK1MAOAMAOB
SCHEMBL8732602 1.00 HDAC2 (0.38) HDAC2ESR2SPHK1MAOAMAOB
SCHEMBL8728207 0.96 HDAC2 (0.36) HDAC2ESR2SPHK1MAOAMAOB
SCHEMBL8727106 0.96 HDAC2 (0.36) HDAC2ESR2SPHK1MAOAMAOB
SCHEMBL8727113 0.96 HDAC2 (0.36) HDAC2ESR2SPHK1MAOAMAOB
SCHEMBL8727099 0.96 HDAC2 (0.36) HDAC2ESR2SPHK1MAOAMAOB
SCHEMBL8727103 0.96 HDAC2 (0.36) HDAC2ESR2SPHK1MAOAMAOB
SCHEMBL8728203 0.96 HDAC2 (0.36) HDAC2ESR2SPHK1MAOAMAOB
SCHEMBL8727109 0.96 HDAC2 (0.36) HDAC2ESR2SPHK1MAOAMAOB

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