SCHEMBL8454294

SCHEMBL8454294

FCC/C=C/[C@H]1CC[C@H](c2ccc(Br)cc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 1/20 0.38
MAOB P27338 5/20 0.33
MAOA P21397 2/20 0.33
HTR2C P28335 2/20 0.33
HTR2B P41595 2/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
POLB P06746 1/20 0.31
SLC18A3 Q16572 1/20 0.31
BRD4 O60885 1/20 0.30
ESR1 P03372 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
ESR2 Q92731 1/20 0.30
KDM1A O60341 4/20 0.30
KCNH2 Q12809 2/20 0.30
RCOR1 Q9UKL0 2/20 0.30
KDM1B Q8NB78 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
SCHEMBL8454300 1.00 HDAC2 (0.38) HDAC2MAOBMAOAHTR2CHTR2B
SCHEMBL8454303 1.00 HDAC2 (0.38) HDAC2MAOBMAOAHTR2CHTR2B
SCHEMBL8448085 0.96 HDAC2 (0.36) HDAC2MAOBMAOAHTR2CHTR2B
SCHEMBL8452640 0.96 HDAC2 (0.36) HDAC2MAOBMAOAHTR2CHTR2B
SCHEMBL8448079 0.96 HDAC2 (0.36) HDAC2MAOBMAOAHTR2CHTR2B
SCHEMBL8452620 0.96 HDAC2 (0.36) HDAC2MAOBMAOAHTR2CHTR2B
SCHEMBL8452635 0.96 HDAC2 (0.36) HDAC2MAOBMAOAHTR2CHTR2B
SCHEMBL8452625 0.96 HDAC2 (0.36) HDAC2MAOBMAOAHTR2CHTR2B
SCHEMBL8456806 0.93 ESR2 (0.37) HDAC2MAOBMAOASLC6A2SLC6A4
SCHEMBL8456798 0.93 ESR2 (0.37) HDAC2MAOBMAOASLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0679707-B1 Liquid crystalline compound, liquid crystal composition and liquid crystal display element CHISSO CORP (JP) 1999-06-16 EP disclosed
US-5720899-A Liquid crystalline compound, liquid crystal composition and liquid crystal display element CHISSO CORPORATION (JP) 1998-02-24 US disclosed
US-5653911-A Liquid crystalline compound liquid crystal composition and liquid crystal display element CHISSO CORPORATION (JP) 1997-08-05 US disclosed
EP-0679707-A1 Liquid crystalline compound, liquid crystal composition and liquid crystal display element Chisso Corporation (JP) 1995-11-02 EP disclosed