SCHEMBL8452687

SCHEMBL8452687

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

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 1/20 0.35
MAOA P21397 2/20 0.33
MAOB P27338 2/20 0.33
SPHK1 Q9NYA1 9/20 0.31
POLB P06746 1/20 0.31
SPHK2 Q9NRA0 7/20 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

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
SCHEMBL8452678 1.00 HDAC2 (0.35) HDAC2MAOAMAOBSPHK1POLB
SCHEMBL8456507 0.88 SPHK1 (0.35) HDAC2MAOAMAOBSPHK1POLB
SCHEMBL8456511 0.88 SPHK1 (0.35) HDAC2MAOAMAOBSPHK1POLB
SCHEMBL8456505 0.88 SPHK1 (0.35) HDAC2MAOAMAOBSPHK1POLB
SCHEMBL8451684 0.87 HDAC2 (0.32) HDAC2MAOAMAOBSPHK1
SCHEMBL8455012 0.87 HDAC2 (0.32) HDAC2MAOAMAOBSPHK1
SCHEMBL8455015 0.87 HDAC2 (0.32) HDAC2MAOAMAOBSPHK1
SCHEMBL8451678 0.87 HDAC2 (0.32) HDAC2MAOAMAOBSPHK1
SCHEMBL8455021 0.87 HDAC2 (0.32) HDAC2MAOAMAOBSPHK1
SCHEMBL8455026 0.87 HDAC2 (0.32) HDAC2MAOAMAOBSPHK1

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