SCHEMBL8730945

SCHEMBL8730945

C=CCCCOCc1ccc([C@H]2CC[C@H]([C@H]3CC[C@H](C=C)CC3)CC2)cc1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 1/20 0.32
TEAD3 Q99594 1/20 0.30
SPHK1 Q9NYA1 1/20 0.30
ESR1 P03372 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
SCHEMBL8730939 1.00 HDAC2 (0.32) HDAC2TEAD3SPHK1ESR1
SCHEMBL8730931 1.00 HDAC2 (0.32) HDAC2TEAD3SPHK1ESR1
SCHEMBL8726705 0.96 HDAC2 (0.33) HDAC2TEAD3SPHK1ESR1
SCHEMBL8726703 0.96 HDAC2 (0.33) HDAC2TEAD3SPHK1ESR1
SCHEMBL8732570 0.93
SCHEMBL8732565 0.93
SCHEMBL8732574 0.93
SCHEMBL8730480 0.92 NAAA (0.34) HDAC2TEAD3SPHK1ESR1
SCHEMBL8730472 0.92 NAAA (0.34) HDAC2TEAD3SPHK1ESR1
SCHEMBL8731295 0.90 ESR2 (0.38) HDAC2ESR1

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