SCHEMBL8077098

SCHEMBL8077098

Fc1cccc(-c2ccc(CCCC3OCCO3)cc2)c1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.40
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
MAPKAPK2 P49137 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
F10 P00742 1/20 0.36
GSK3B P49841 8/20 0.35
KCNH2 Q12809 7/20 0.35
MGLL Q99685 2/20 0.34
WDR5 P61964 1/20 0.34
BRS3 P32247 1/20 0.33

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
SCHEMBL9493595 0.75 HDAC3 (0.52) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL7786808 0.74 HDAC3 (0.51) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL9492798 0.74 HDAC3 (0.51) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL18931339 0.73 BRS3 (0.44) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL8987882 0.73 HDAC3 (0.50) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL9497689 0.73 RARB (0.52) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL7790562 0.73 RARB (0.52) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL9497766 0.73 RARB (0.52) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL9496656 0.73 RARB (0.52) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL7788958 0.73 RARB (0.52) HDAC3HDAC1HDAC2HDAC8HDAC6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0755918-B1 Photocrosslinkable liquid crystalline 1,2-phenylene derivatives ROLIC AG (CH) 2000-09-06 EP disclosed
EP-0755918-A2 Photocrosslinkable liquid crystalline 1,2-phenylene derivatives Rolic AG (CH) 1997-01-29 EP disclosed