SCHEMBL8451684

SCHEMBL8451684

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

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 1/20 0.32
SPHK1 Q9NYA1 1/20 0.31
MAOA P21397 2/20 0.30
MAOB P27338 2/20 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
SCHEMBL8451678 1.00 HDAC2 (0.32) HDAC2SPHK1MAOAMAOB
SCHEMBL8455021 0.92 HDAC2 (0.32) HDAC2SPHK1MAOAMAOB
SCHEMBL8455026 0.92 HDAC2 (0.32) HDAC2SPHK1MAOAMAOB
SCHEMBL8455012 0.92 HDAC2 (0.32) HDAC2SPHK1MAOAMAOB
SCHEMBL8455015 0.92 HDAC2 (0.32) HDAC2SPHK1MAOAMAOB
SCHEMBL8454563 0.90 SPHK1 (0.35) HDAC2SPHK1
SCHEMBL8454554 0.90 SPHK1 (0.35) HDAC2SPHK1
SCHEMBL8448038 0.88 HDAC2 (0.33) HDAC2MAOAMAOB
SCHEMBL8448031 0.88 HDAC2 (0.33) HDAC2MAOAMAOB
SCHEMBL8452678 0.87 HDAC2 (0.35) HDAC2SPHK1MAOAMAOB

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